2-[(4-amino-3-methoxybutanoyl)amino]-2-cyclopropylacetic acid

C10H18N2O4 — CID 103155791

IUPAC2-[(4-amino-3-methoxybutanoyl)amino]-2-cyclopropylacetic acid
SMILESCOC(CN)CC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O4/c1-16-7(5-11)4-8(13)12-9(10(14)15)6-2-3-6/h6-7,9H,2-5,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyPLZKTOBXPVVYIG-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.67
Rot. Bonds7

About 2-[(4-amino-3-methoxybutanoyl)amino]-2-cyclopropylacetic acid

2-[(4-amino-3-methoxybutanoyl)amino]-2-cyclopropylacetic acid (PubChem CID 103155791) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[(4-amino-3-methoxybutanoyl)amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(4-amino-3-methoxybutanoyl)amino]-2-cyclopropylacetic acid
PubChem CID103155791
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[(4-amino-3-methoxybutanoyl)amino]-2-cyclopropylacetic acid
SMILESCOC(CN)CC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O4/c1-16-7(5-11)4-8(13)12-9(10(14)15)6-2-3-6/h6-7,9H,2-5,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyPLZKTOBXPVVYIG-UHFFFAOYSA-N
XLogP-0.67
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide
CID 103155504
2-[(4-amino-3-methylbutanoyl)amino]-2-cyclopropylacetic acid
CID 81079237
(2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid
CID 103155444
2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid
CID 103155386
4-amino-3-methoxy-N-[1-(oxan-4-yl)ethyl]butanamide
CID 107093451
(2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103156564
4-amino-N-(3-amino-1-cyclohexyl-3-oxopropyl)-3-methoxybutanamide
CID 120594227
4-amino-3-methoxy-N-(3-methylbutan-2-yl)butanamide
CID 103154290
2-(butanoylamino)-2-cyclopropylacetic acid
CID 62694942
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide
CID 103156180
4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120591726
4-amino-N-(1-cyclobutylpentyl)-3-methoxybutanamide
CID 120592498

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methoxybutanoyl)amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(4-amino-3-methoxybutanoyl)amino]-2-cyclopropylacetic acid (CID 103155791) is 2-[(4-amino-3-methoxybutanoyl)amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(4-amino-3-methoxybutanoyl)amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(4-amino-3-methoxybutanoyl)amino]-2-cyclopropylacetic acid is COC(CN)CC(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-[(4-amino-3-methoxybutanoyl)amino]-2-cyclopropylacetic acid?
The InChIKey is PLZKTOBXPVVYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-16-7(5-11)4-8(13)12-9(10(14)15)6-2-3-6/h6-7,9H,2-5,11H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(4-amino-3-methoxybutanoyl)amino]-2-cyclopropylacetic acid?
2-[(4-amino-3-methoxybutanoyl)amino]-2-cyclopropylacetic acid has a molecular weight of 230.26 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 2-[(4-amino-3-methoxybutanoyl)amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 103155791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).