2-[(2-amino-2-methylpropanoyl)amino]-2-cyclopropylacetic acid

C9H16N2O3 — CID 62696214

IUPAC2-[(2-amino-2-methylpropanoyl)amino]-2-cyclopropylacetic acid
SMILESCC(C)(N)C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C9H16N2O3/c1-9(2,10)8(14)11-6(7(12)13)5-3-4-5/h5-6H,3-4,10H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyRSNJPZZMBUGLOH-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.30
Rot. Bonds4

About 2-[(2-amino-2-methylpropanoyl)amino]-2-cyclopropylacetic acid

2-[(2-amino-2-methylpropanoyl)amino]-2-cyclopropylacetic acid (PubChem CID 62696214) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[(2-amino-2-methylpropanoyl)amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-methylpropanoyl)amino]-2-cyclopropylacetic acid
PubChem CID62696214
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[(2-amino-2-methylpropanoyl)amino]-2-cyclopropylacetic acid
SMILESCC(C)(N)C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C9H16N2O3/c1-9(2,10)8(14)11-6(7(12)13)5-3-4-5/h5-6H,3-4,10H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyRSNJPZZMBUGLOH-UHFFFAOYSA-N
XLogP-0.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-phenylpropanoyl)amino]-2-cyclopropylacetic acid
CID 62696206
2-[(2-amino-2-methylbutanoyl)amino]-2-cyclohexylacetic acid
CID 79805005
(2S)-2-cyclopropyl-2-[(2,2,2-trichloroacetyl)amino]acetic acid
CID 101214790
2-(tert-butylcarbamoylamino)-2-cyclopropylacetic acid
CID 62695953
2-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide
CID 61265413
2-cyclopropyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid
CID 83198884
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide
CID 63297255
2-cyclopropyl-2-(methylamino)acetic acid;hydrochloride
CID 146194288
(2R)-2-acetamido-2-cyclobutylacetic acid
CID 91654951
2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid
CID 83017392
2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 62697752
2-cyclopropyl-2-(thiomorpholine-4-carbonylamino)acetic acid
CID 62710695

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylpropanoyl)amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(2-amino-2-methylpropanoyl)amino]-2-cyclopropylacetic acid (CID 62696214) is 2-[(2-amino-2-methylpropanoyl)amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(2-amino-2-methylpropanoyl)amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(2-amino-2-methylpropanoyl)amino]-2-cyclopropylacetic acid is CC(C)(N)C(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-[(2-amino-2-methylpropanoyl)amino]-2-cyclopropylacetic acid?
The InChIKey is RSNJPZZMBUGLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-9(2,10)8(14)11-6(7(12)13)5-3-4-5/h5-6H,3-4,10H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 2-[(2-amino-2-methylpropanoyl)amino]-2-cyclopropylacetic acid?
2-[(2-amino-2-methylpropanoyl)amino]-2-cyclopropylacetic acid has a molecular weight of 200.24 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylpropanoyl)amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62696214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).