2-hydroxy-3-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid

C8H15N3O5 — CID 66165318

IUPAC2-hydroxy-3-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid
SMILESCNC(=O)CCNC(=O)NCC(O)C(=O)O
InChIInChI=1S/C8H15N3O5/c1-9-6(13)2-3-10-8(16)11-4-5(12)7(14)15/h5,12H,2-4H2,1H3,(H,9,13)(H,14,15)(H2,10,11,16)
InChIKeyXMDNGUQNEZURDW-UHFFFAOYSA-N
MW233.22 g/mol
LogP-2.13
Rot. Bonds6

About 2-hydroxy-3-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid

2-hydroxy-3-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid (PubChem CID 66165318) has the molecular formula C8H15N3O5 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-hydroxy-3-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid
PubChem CID66165318
Molecular FormulaC8H15N3O5
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC Name2-hydroxy-3-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid
SMILESCNC(=O)CCNC(=O)NCC(O)C(=O)O
InChIInChI=1S/C8H15N3O5/c1-9-6(13)2-3-10-8(16)11-4-5(12)7(14)15/h5,12H,2-4H2,1H3,(H,9,13)(H,14,15)(H2,10,11,16)
InChIKeyXMDNGUQNEZURDW-UHFFFAOYSA-N
XLogP-2.13
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-2.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]butanoic acid
CID 65222904
2-hydroxy-3-(4-methylpentylcarbamoylamino)propanoic acid
CID 66166957
(2S)-2-hydroxy-3-(3-methylbutylcarbamoylamino)propanoic acid
CID 107837964
2-methyl-4-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 80541843
4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
CID 82014412
(2S)-3-[2-(carbamoylamino)ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 107840831
(2S)-3-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 107837851
(2S)-3-[3-(ethylamino)propanoylamino]-2-hydroxypropanoic acid
CID 107835994
(2S)-2-hydroxy-3-(3-methylsulfonylpropylcarbamoylamino)propanoic acid
CID 107839386
(2S)-2-hydroxy-3-(4-methoxybutylcarbamoylamino)propanoic acid
CID 107839392
(2S)-2-hydroxy-4-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 107840936
4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
CID 107840927

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid (CID 66165318) is 2-hydroxy-3-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid is CNC(=O)CCNC(=O)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid?
The InChIKey is XMDNGUQNEZURDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O5/c1-9-6(13)2-3-10-8(16)11-4-5(12)7(14)15/h5,12H,2-4H2,1H3,(H,9,13)(H,14,15)(H2,10,11,16).
What are the key properties of 2-hydroxy-3-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid?
2-hydroxy-3-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid has a molecular weight of 233.22 g/mol, XLogP of -2.13, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 66165318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).