(2S)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid

C10H18N2O4 — CID 107824979

IUPAC(2S)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid
SMILESCC(N)(C(=O)N[C@@H](CCO)C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O4/c1-10(11,6-2-3-6)9(16)12-7(4-5-13)8(14)15/h6-7,13H,2-5,11H2,1H3,(H,12,16)(H,14,15)/t7-,10?/m0/s1
InChIKeyUHPSPQMXDHWJJB-BYDSUWOYSA-N
MW230.26 g/mol
LogP-0.93
Rot. Bonds6

About (2S)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid

(2S)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid (PubChem CID 107824979) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid
PubChem CID107824979
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid
SMILESCC(N)(C(=O)N[C@@H](CCO)C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O4/c1-10(11,6-2-3-6)9(16)12-7(4-5-13)8(14)15/h6-7,13H,2-5,11H2,1H3,(H,12,16)(H,14,15)/t7-,10?/m0/s1
InChIKeyUHPSPQMXDHWJJB-BYDSUWOYSA-N
XLogP-0.93
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-cyclopropyl-N-hexan-2-ylpropanamide
CID 62198947
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid
CID 62835355
2-amino-2-cyclopropyl-N-pent-4-yn-2-ylpropanamide
CID 115976498
2-amino-2-cyclopropyl-N-(3-methylpentan-2-yl)propanamide
CID 61463878
3-[(2-amino-2-cyclopropylpropanoyl)amino]butanamide
CID 115746838
(2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107825290
2-amino-2-cyclopropyl-N-(3-ethylpentan-2-yl)propanamide
CID 63843687
2-amino-2-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 64643013
(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-phenylacetic acid
CID 61161130
2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 103161841
(2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 107822267
(2S)-2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 107827322

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid (CID 107824979) is (2S)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid is CC(N)(C(=O)N[C@@H](CCO)C(=O)O)C1CC1.
What is the InChIKey of (2S)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid?
The InChIKey is UHPSPQMXDHWJJB-BYDSUWOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(11,6-2-3-6)9(16)12-7(4-5-13)8(14)15/h6-7,13H,2-5,11H2,1H3,(H,12,16)(H,14,15)/t7-,10?/m0/s1.
What are the key properties of (2S)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid?
(2S)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.93, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107824979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).