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

C10H17NO4 — CID 107822267

IUPAC(2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
SMILESO=C(CC1CCC1)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C10H17NO4/c12-5-4-8(10(14)15)11-9(13)6-7-2-1-3-7/h7-8,12H,1-6H2,(H,11,13)(H,14,15)/t8-/m0/s1
InChIKeyOGEYWODTVKEVBI-QMMMGPOBSA-N
MW215.25 g/mol
LogP0.13
Rot. Bonds6

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

(2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid (PubChem CID 107822267) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
PubChem CID107822267
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
SMILESO=C(CC1CCC1)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C10H17NO4/c12-5-4-8(10(14)15)11-9(13)6-7-2-1-3-7/h7-8,12H,1-6H2,(H,11,13)(H,14,15)/t8-/m0/s1
InChIKeyOGEYWODTVKEVBI-QMMMGPOBSA-N
XLogP0.13
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 103161841
2-[(2-cyclobutylacetyl)amino]butanedioic acid
CID 103162089
(2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid
CID 104928841
2-[(2-cyclopentylacetyl)amino]hexanoic acid
CID 60657212
(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid
CID 61151881
2-[(2-cyclopropylacetyl)amino]pentanoic acid
CID 43630437
2-[(2-cyclohexylacetyl)amino]-4-methylsulfanylbutanoic acid
CID 43183375
2-[(2-cycloheptylacetyl)amino]butanoic acid
CID 115909894
2-[(2-cyclohexylacetyl)amino]-4-methylsulfonylbutanoic acid
CID 43107936
(2R)-2-(cyclobutanecarbonylamino)-4-hydroxybutanoic acid
CID 107823219
2-[(2-cyclopropylacetyl)amino]hexanoic acid
CID 43469695
(2S)-2-[[2-(cyclopentylamino)acetyl]amino]-4-hydroxybutanoic acid
CID 114005220

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid (CID 107822267) is (2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid is O=C(CC1CCC1)N[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid?
The InChIKey is OGEYWODTVKEVBI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO4/c12-5-4-8(10(14)15)11-9(13)6-7-2-1-3-7/h7-8,12H,1-6H2,(H,11,13)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid?
(2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107822267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).