2-[(4-amino-3-methylbutanoyl)-cyclopropylamino]acetic acid

C10H18N2O3 — CID 81086743

IUPAC2-[(4-amino-3-methylbutanoyl)-cyclopropylamino]acetic acid
SMILESCC(CN)CC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C10H18N2O3/c1-7(5-11)4-9(13)12(6-10(14)15)8-2-3-8/h7-8H,2-6,11H2,1H3,(H,14,15)
InChIKeyABGWVQHJSDZREX-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.05
Rot. Bonds6

About 2-[(4-amino-3-methylbutanoyl)-cyclopropylamino]acetic acid

2-[(4-amino-3-methylbutanoyl)-cyclopropylamino]acetic acid (PubChem CID 81086743) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[(4-amino-3-methylbutanoyl)-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-amino-3-methylbutanoyl)-cyclopropylamino]acetic acid
PubChem CID81086743
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[(4-amino-3-methylbutanoyl)-cyclopropylamino]acetic acid
SMILESCC(CN)CC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C10H18N2O3/c1-7(5-11)4-9(13)12(6-10(14)15)8-2-3-8/h7-8H,2-6,11H2,1H3,(H,14,15)
InChIKeyABGWVQHJSDZREX-UHFFFAOYSA-N
XLogP0.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-cyclobutyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 102862103
4-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 81076206
(3R)-4-amino-3-methylbutanoic acid;hydrochloride
CID 87721123
4-amino-3-methylbutanoic acid;2-methylpropane
CID 143811203
2-[5-aminohexanoyl(cyclopentyl)amino]acetic acid
CID 82851549
4-amino-N,3-dimethyl-N-(thiolan-3-yl)butanamide
CID 81070662
2-[[(2R)-2-aminopropanoyl]-cyclopentylamino]acetic acid
CID 78973399
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-methoxybutanamide
CID 103154406
2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid
CID 13089672
2-[cyclopropyl(nonanoyl)amino]acetic acid
CID 54945844
3-(aminomethyl)-N-cyclopropyl-N-ethylpentanamide
CID 81070792
2-[cyclopropyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid
CID 61195638

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methylbutanoyl)-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(4-amino-3-methylbutanoyl)-cyclopropylamino]acetic acid (CID 81086743) is 2-[(4-amino-3-methylbutanoyl)-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(4-amino-3-methylbutanoyl)-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(4-amino-3-methylbutanoyl)-cyclopropylamino]acetic acid is CC(CN)CC(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[(4-amino-3-methylbutanoyl)-cyclopropylamino]acetic acid?
The InChIKey is ABGWVQHJSDZREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(5-11)4-9(13)12(6-10(14)15)8-2-3-8/h7-8H,2-6,11H2,1H3,(H,14,15).
What are the key properties of 2-[(4-amino-3-methylbutanoyl)-cyclopropylamino]acetic acid?
2-[(4-amino-3-methylbutanoyl)-cyclopropylamino]acetic acid has a molecular weight of 214.26 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methylbutanoyl)-cyclopropylamino]acetic acid is sourced from PubChem (CID 81086743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).