2-[[2-amino-3-(2-methylcyclopropyl)propanoyl]amino]acetic acid

C9H16N2O3 — CID 163695583

IUPAC2-[[2-amino-3-(2-methylcyclopropyl)propanoyl]amino]acetic acid
SMILESCC1CC1CC(N)C(=O)NCC(=O)O
InChIInChI=1S/C9H16N2O3/c1-5-2-6(5)3-7(10)9(14)11-4-8(12)13/h5-7H,2-4,10H2,1H3,(H,11,14)(H,12,13)
InChIKeyJWRBLHRTBQHOSJ-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.44
Rot. Bonds5

About 2-[[2-amino-3-(2-methylcyclopropyl)propanoyl]amino]acetic acid

2-[[2-amino-3-(2-methylcyclopropyl)propanoyl]amino]acetic acid (PubChem CID 163695583) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[[2-amino-3-(2-methylcyclopropyl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-amino-3-(2-methylcyclopropyl)propanoyl]amino]acetic acid
PubChem CID163695583
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[[2-amino-3-(2-methylcyclopropyl)propanoyl]amino]acetic acid
SMILESCC1CC1CC(N)C(=O)NCC(=O)O
InChIInChI=1S/C9H16N2O3/c1-5-2-6(5)3-7(10)9(14)11-4-8(12)13/h5-7H,2-4,10H2,1H3,(H,11,14)(H,12,13)
InChIKeyJWRBLHRTBQHOSJ-UHFFFAOYSA-N
XLogP-0.44
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]acetic acid
CID 3246319
2-[(2-amino-3-selanylpropanoyl)amino]acetic acid
CID 175250934
2-[[(2R)-2-amino-3-[[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]acetic acid;dihydrochloride
CID 127239953
2-[[(2S)-2-amino-4-methylpent-4-enoyl]amino]acetic acid
CID 142050600
2-[(2-amino-2-cyclopropylacetyl)amino]acetic acid
CID 89288352
2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
CID 6993111
(2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide
CID 103795240
2-[[(3S)-2,3-diaminobutanoyl]amino]acetic acid;2-methylpropane
CID 143300236
2-[[2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetyl]amino]acetic acid
CID 7019095
magnesium;2-[[(2S)-2,6-diaminohexanoyl]amino]acetic acid;hydride
CID 174953341
2-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]acetic acid;2,2,2-trifluoroacetic acid
CID 122705193
3-amino-4-[[1-[[1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18246514

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-3-(2-methylcyclopropyl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[[2-amino-3-(2-methylcyclopropyl)propanoyl]amino]acetic acid (CID 163695583) is 2-[[2-amino-3-(2-methylcyclopropyl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-amino-3-(2-methylcyclopropyl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[[2-amino-3-(2-methylcyclopropyl)propanoyl]amino]acetic acid is CC1CC1CC(N)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-amino-3-(2-methylcyclopropyl)propanoyl]amino]acetic acid?
The InChIKey is JWRBLHRTBQHOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-5-2-6(5)3-7(10)9(14)11-4-8(12)13/h5-7H,2-4,10H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 2-[[2-amino-3-(2-methylcyclopropyl)propanoyl]amino]acetic acid?
2-[[2-amino-3-(2-methylcyclopropyl)propanoyl]amino]acetic acid has a molecular weight of 200.24 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-3-(2-methylcyclopropyl)propanoyl]amino]acetic acid is sourced from PubChem (CID 163695583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).