3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid

C9H18N2O4 — CID 106108985

IUPAC3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid
SMILESCCC[C@@H](N)C(=O)NCC(OC)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-3-4-6(10)8(12)11-5-7(15-2)9(13)14/h6-7H,3-5,10H2,1-2H3,(H,11,12)(H,13,14)/t6-,7?/m1/s1
InChIKeyLKFUHEYPBOMAQF-ULUSZKPHSA-N
MW218.25 g/mol
LogP-0.67
Rot. Bonds7

About 3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid

3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid (PubChem CID 106108985) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid
PubChem CID106108985
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid
SMILESCCC[C@@H](N)C(=O)NCC(OC)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-3-4-6(10)8(12)11-5-7(15-2)9(13)14/h6-7H,3-5,10H2,1-2H3,(H,11,12)(H,13,14)/t6-,7?/m1/s1
InChIKeyLKFUHEYPBOMAQF-ULUSZKPHSA-N
XLogP-0.67
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2,2-dimethoxyethyl)pentanamide
CID 61274915
3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid
CID 106109032
2-amino-N-(2-methoxy-3,3-dimethylbutyl)pentanamide;hydrochloride
CID 119341481
3-(2-ethylbutanoylamino)-2-methoxypropanoic acid
CID 106107186
(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide
CID 107569812
3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid
CID 106107877
2-amino-N-(2-methoxy-2-phenylethyl)pentanamide
CID 119278905
3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-methoxypropanoic acid
CID 106108909
2-amino-N-propylpentanamide
CID 43649977
4-(2-aminopentanoylamino)-3-ethoxybutanoic acid
CID 114227038
2-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic acid
CID 106113025
2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid
CID 81101109

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid (CID 106108985) is 3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid is CCC[C@@H](N)C(=O)NCC(OC)C(=O)O.
What is the InChIKey of 3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid?
The InChIKey is LKFUHEYPBOMAQF-ULUSZKPHSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-3-4-6(10)8(12)11-5-7(15-2)9(13)14/h6-7H,3-5,10H2,1-2H3,(H,11,12)(H,13,14)/t6-,7?/m1/s1.
What are the key properties of 3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid?
3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid has a molecular weight of 218.25 g/mol, XLogP of -0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106108985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).