2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-5-methoxypentanoic acid

C14H28N2O5 — CID 81085055

IUPAC2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-5-methoxypentanoic acid
SMILESCCC(CC)N(CCO)C(=O)NC(CCCOC)C(=O)O
InChIInChI=1S/C14H28N2O5/c1-4-11(5-2)16(8-9-17)14(20)15-12(13(18)19)7-6-10-21-3/h11-12,17H,4-10H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyFNRILZHNMYTYTF-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.06
Rot. Bonds11

About 2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-5-methoxypentanoic acid

2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-5-methoxypentanoic acid (PubChem CID 81085055) has the molecular formula C14H28N2O5 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-5-methoxypentanoic acid
PubChem CID81085055
Molecular FormulaC14H28N2O5
Molecular Weight304.39 g/mol
Exact Mass304.20
IUPAC Name2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-5-methoxypentanoic acid
SMILESCCC(CC)N(CCO)C(=O)NC(CCCOC)C(=O)O
InChIInChI=1S/C14H28N2O5/c1-4-11(5-2)16(8-9-17)14(20)15-12(13(18)19)7-6-10-21-3/h11-12,17H,4-10H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyFNRILZHNMYTYTF-UHFFFAOYSA-N
XLogP1.06
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81084788
2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 107481824
(2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid
CID 107827085
5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid
CID 81085427
2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62474515
5-methoxy-2-[[methyl-[3-(methylamino)propyl]carbamoyl]amino]pentanoic acid
CID 81081490
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
(2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 114005835
(2S)-4-hydroxy-2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]butanoic acid
CID 107828338
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314
2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-3-methylbutanoic acid
CID 54998159
(2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566916

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-5-methoxypentanoic acid (CID 81085055) is 2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-5-methoxypentanoic acid is CCC(CC)N(CCO)C(=O)NC(CCCOC)C(=O)O.
What is the InChIKey of 2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-5-methoxypentanoic acid?
The InChIKey is FNRILZHNMYTYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O5/c1-4-11(5-2)16(8-9-17)14(20)15-12(13(18)19)7-6-10-21-3/h11-12,17H,4-10H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-5-methoxypentanoic acid?
2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-5-methoxypentanoic acid has a molecular weight of 304.39 g/mol, XLogP of 1.06, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-5-methoxypentanoic acid is sourced from PubChem (CID 81085055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).