2-[[2-[2-[2-[[2-(carbamoylcarbamoylamino)-3-hydroxypropanoyl]amino]ethoxy]ethoxy]acetyl]amino]-3-hydroxypropanamide

C14H26N6O9 — CID 123586058

IUPAC2-[[2-[2-[2-[[2-(carbamoylcarbamoylamino)-3-hydroxypropanoyl]amino]ethoxy]ethoxy]acetyl]amino]-3-hydroxypropanamide
SMILESNC(=O)NC(=O)NC(CO)C(=O)NCCOCCOCC(=O)NC(CO)C(N)=O
InChIInChI=1S/C14H26N6O9/c15-11(24)8(5-21)18-10(23)7-29-4-3-28-2-1-17-12(25)9(6-22)19-14(27)20-13(16)26/h8-9,21-22H,1-7H2,(H2,15,24)(H,17,25)(H,18,23)(H4,16,19,20,26,27)
InChIKeyMCXXFAZJEANOFA-UHFFFAOYSA-N
MW422.40 g/mol
LogP-5.16
Rot. Bonds14

About 2-[[2-[2-[2-[[2-(carbamoylcarbamoylamino)-3-hydroxypropanoyl]amino]ethoxy]ethoxy]acetyl]amino]-3-hydroxypropanamide

2-[[2-[2-[2-[[2-(carbamoylcarbamoylamino)-3-hydroxypropanoyl]amino]ethoxy]ethoxy]acetyl]amino]-3-hydroxypropanamide (PubChem CID 123586058) has the molecular formula C14H26N6O9 and a molecular weight of 422.40 g/mol. Its IUPAC name is 2-[[2-[2-[2-[[2-(carbamoylcarbamoylamino)-3-hydroxypropanoyl]amino]ethoxy]ethoxy]acetyl]amino]-3-hydroxypropanamide.

Molecular Properties

Compound Name2-[[2-[2-[2-[[2-(carbamoylcarbamoylamino)-3-hydroxypropanoyl]amino]ethoxy]ethoxy]acetyl]amino]-3-hydroxypropanamide
PubChem CID123586058
Molecular FormulaC14H26N6O9
Molecular Weight422.40 g/mol
Exact Mass422.18
IUPAC Name2-[[2-[2-[2-[[2-(carbamoylcarbamoylamino)-3-hydroxypropanoyl]amino]ethoxy]ethoxy]acetyl]amino]-3-hydroxypropanamide
SMILESNC(=O)NC(=O)NC(CO)C(=O)NCCOCCOCC(=O)NC(CO)C(N)=O
InChIInChI=1S/C14H26N6O9/c15-11(24)8(5-21)18-10(23)7-29-4-3-28-2-1-17-12(25)9(6-22)19-14(27)20-13(16)26/h8-9,21-22H,1-7H2,(H2,15,24)(H,17,25)(H,18,23)(H4,16,19,20,26,27)
InChIKeyMCXXFAZJEANOFA-UHFFFAOYSA-N
XLogP-5.16
TPSA244.43 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.40
LogP ≤ 5-5.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(carbamoylcarbamoylamino)-3-hydroxy-N-[2-[2-[2-(3-hydroxybutan-2-ylamino)-2-oxoethoxy]ethoxy]ethyl]propanamide
CID 134591746
(4S)-5-amino-4-[[(2S)-1-[2-[2-[2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxobutan-2-yl]carbamoylamino]-5-oxopentanoic acid
CID 134591932
5-amino-4-[[1-[2-[2-[2-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxopropan-2-yl]carbamoylamino]-5-oxopentanoic acid
CID 123758302
(2S)-2-[[2-[2-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3-sulfanylpropanamide
CID 121419492
18-[[(1S)-4-[2-[2-[2-[[(2S)-1-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 88941739
methyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate
CID 43422807
22-[2-[2-[2-[2-[2-[2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-22-oxodocosanoic acid
CID 169324177
2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide
CID 147884881
methyl 3-hydroxy-2-[(2-propoxyacetyl)amino]propanoate
CID 104701957
N'-[4-[[2-[[2-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]butyl]-2-ethylpentanediamide
CID 163845813
(2R)-2-[[(2R)-2-[[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]propanoyl]amino]propanamide
CID 118895063
ethane;3-hydroxy-2-(3-hydroxypropanoylamino)propanamide
CID 178158629

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[2-[[2-(carbamoylcarbamoylamino)-3-hydroxypropanoyl]amino]ethoxy]ethoxy]acetyl]amino]-3-hydroxypropanamide?
The IUPAC name of 2-[[2-[2-[2-[[2-(carbamoylcarbamoylamino)-3-hydroxypropanoyl]amino]ethoxy]ethoxy]acetyl]amino]-3-hydroxypropanamide (CID 123586058) is 2-[[2-[2-[2-[[2-(carbamoylcarbamoylamino)-3-hydroxypropanoyl]amino]ethoxy]ethoxy]acetyl]amino]-3-hydroxypropanamide.
What is the SMILES notation for 2-[[2-[2-[2-[[2-(carbamoylcarbamoylamino)-3-hydroxypropanoyl]amino]ethoxy]ethoxy]acetyl]amino]-3-hydroxypropanamide?
The canonical SMILES for 2-[[2-[2-[2-[[2-(carbamoylcarbamoylamino)-3-hydroxypropanoyl]amino]ethoxy]ethoxy]acetyl]amino]-3-hydroxypropanamide is NC(=O)NC(=O)NC(CO)C(=O)NCCOCCOCC(=O)NC(CO)C(N)=O.
What is the InChIKey of 2-[[2-[2-[2-[[2-(carbamoylcarbamoylamino)-3-hydroxypropanoyl]amino]ethoxy]ethoxy]acetyl]amino]-3-hydroxypropanamide?
The InChIKey is MCXXFAZJEANOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O9/c15-11(24)8(5-21)18-10(23)7-29-4-3-28-2-1-17-12(25)9(6-22)19-14(27)20-13(16)26/h8-9,21-22H,1-7H2,(H2,15,24)(H,17,25)(H,18,23)(H4,16,19,20,26,27).
What are the key properties of 2-[[2-[2-[2-[[2-(carbamoylcarbamoylamino)-3-hydroxypropanoyl]amino]ethoxy]ethoxy]acetyl]amino]-3-hydroxypropanamide?
2-[[2-[2-[2-[[2-(carbamoylcarbamoylamino)-3-hydroxypropanoyl]amino]ethoxy]ethoxy]acetyl]amino]-3-hydroxypropanamide has a molecular weight of 422.40 g/mol, XLogP of -5.16, 14 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[2-[[2-(carbamoylcarbamoylamino)-3-hydroxypropanoyl]amino]ethoxy]ethoxy]acetyl]amino]-3-hydroxypropanamide is sourced from PubChem (CID 123586058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).