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

C10H18N2O3 — CID 81079237

IUPAC2-[(4-amino-3-methylbutanoyl)amino]-2-cyclopropylacetic acid
SMILESCC(CN)CC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O3/c1-6(5-11)4-8(13)12-9(10(14)15)7-2-3-7/h6-7,9H,2-5,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyOVKKGXBDABBSTG-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.05
Rot. Bonds6

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

2-[(4-amino-3-methylbutanoyl)amino]-2-cyclopropylacetic acid (PubChem CID 81079237) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[(4-amino-3-methylbutanoyl)amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(4-amino-3-methylbutanoyl)amino]-2-cyclopropylacetic acid
PubChem CID81079237
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[(4-amino-3-methylbutanoyl)amino]-2-cyclopropylacetic acid
SMILESCC(CN)CC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O3/c1-6(5-11)4-8(13)12-9(10(14)15)7-2-3-7/h6-7,9H,2-5,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyOVKKGXBDABBSTG-UHFFFAOYSA-N
XLogP-0.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-amino-3-methoxybutanoyl)amino]-2-cyclopropylacetic acid
CID 103155791
2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid
CID 62696018
2-(butanoylamino)-2-cyclopropylacetic acid
CID 62694942
2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid
CID 62696024
6-[(4-amino-3-methylbutanoyl)amino]-2-methylheptanoic acid
CID 81080313
2-(3-methylhexanoylamino)-2-(oxan-3-yl)acetic acid
CID 120547953
2-[(4-amino-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 81086648
2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid
CID 62696023
3-amino-4-[[carboxy(cyclopropyl)methyl]amino]-4-oxobutanoic acid
CID 64895375
4-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide
CID 81087048
4-amino-N-cyclobutyl-3-methylbutanamide
CID 81086885
2-cyclopropyl-2-[4-(methylamino)butanoylamino]acetic acid
CID 62696021

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methylbutanoyl)amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(4-amino-3-methylbutanoyl)amino]-2-cyclopropylacetic acid (CID 81079237) is 2-[(4-amino-3-methylbutanoyl)amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(4-amino-3-methylbutanoyl)amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(4-amino-3-methylbutanoyl)amino]-2-cyclopropylacetic acid is CC(CN)CC(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-[(4-amino-3-methylbutanoyl)amino]-2-cyclopropylacetic acid?
The InChIKey is OVKKGXBDABBSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6(5-11)4-8(13)12-9(10(14)15)7-2-3-7/h6-7,9H,2-5,11H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(4-amino-3-methylbutanoyl)amino]-2-cyclopropylacetic acid?
2-[(4-amino-3-methylbutanoyl)amino]-2-cyclopropylacetic acid has a molecular weight of 214.26 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methylbutanoyl)amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 81079237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).