2-[(2-amino-4-methoxybutanoyl)-cyclopropylamino]acetic acid

C10H18N2O4 — CID 62473237

IUPAC2-[(2-amino-4-methoxybutanoyl)-cyclopropylamino]acetic acid
SMILESCOCCC(N)C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C10H18N2O4/c1-16-5-4-8(11)10(15)12(6-9(13)14)7-2-3-7/h7-8H,2-6,11H2,1H3,(H,13,14)
InChIKeyUECGLCVAEKLEHX-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.57
Rot. Bonds7

About 2-[(2-amino-4-methoxybutanoyl)-cyclopropylamino]acetic acid

2-[(2-amino-4-methoxybutanoyl)-cyclopropylamino]acetic acid (PubChem CID 62473237) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[(2-amino-4-methoxybutanoyl)-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-4-methoxybutanoyl)-cyclopropylamino]acetic acid
PubChem CID62473237
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[(2-amino-4-methoxybutanoyl)-cyclopropylamino]acetic acid
SMILESCOCCC(N)C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C10H18N2O4/c1-16-5-4-8(11)10(15)12(6-9(13)14)7-2-3-7/h7-8H,2-6,11H2,1H3,(H,13,14)
InChIKeyUECGLCVAEKLEHX-UHFFFAOYSA-N
XLogP-0.57
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methoxybutanamide
CID 62474480
2-amino-N-cyclopropyl-N-(2-methoxyethyl)pentanamide
CID 60947244
2-amino-4-methoxy-N-methyl-N-(4-methylcyclohexyl)butanamide
CID 55091669
(2R)-2-amino-N-cyclopropyl-N-(2-methoxyethyl)-4-methylsulfanylbutanamide
CID 104907782
2-amino-N-cyclopropyl-N-(2-methoxyethyl)butanamide
CID 60947245
2-amino-N-cyclopropyl-4-methoxy-N-(pyridin-2-ylmethyl)butanamide
CID 62474295
2-[(2-amino-5-methoxypentanoyl)-ethylamino]acetic acid
CID 81088213
2-[[(2R)-2-aminopropanoyl]-cyclopentylamino]acetic acid
CID 78973399
2-amino-N-cyclopentyl-5-methoxy-N-methylpentanamide
CID 81081449
2-amino-N-(cyclopentylmethyl)-4-methoxy-N-methylbutanamide
CID 63654910
2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid
CID 13089672
2-amino-N-(4-ethylcyclohexyl)-5-methoxy-N-methylpentanamide
CID 81088714

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methoxybutanoyl)-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(2-amino-4-methoxybutanoyl)-cyclopropylamino]acetic acid (CID 62473237) is 2-[(2-amino-4-methoxybutanoyl)-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(2-amino-4-methoxybutanoyl)-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(2-amino-4-methoxybutanoyl)-cyclopropylamino]acetic acid is COCCC(N)C(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[(2-amino-4-methoxybutanoyl)-cyclopropylamino]acetic acid?
The InChIKey is UECGLCVAEKLEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-16-5-4-8(11)10(15)12(6-9(13)14)7-2-3-7/h7-8H,2-6,11H2,1H3,(H,13,14).
What are the key properties of 2-[(2-amino-4-methoxybutanoyl)-cyclopropylamino]acetic acid?
2-[(2-amino-4-methoxybutanoyl)-cyclopropylamino]acetic acid has a molecular weight of 230.26 g/mol, XLogP of -0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methoxybutanoyl)-cyclopropylamino]acetic acid is sourced from PubChem (CID 62473237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).