2-[(2-cyclobutylacetyl)amino]butanedioic acid

C10H15NO5 — CID 103162089

IUPAC2-[(2-cyclobutylacetyl)amino]butanedioic acid
SMILESO=C(O)CC(NC(=O)CC1CCC1)C(=O)O
InChIInChI=1S/C10H15NO5/c12-8(4-6-2-1-3-6)11-7(10(15)16)5-9(13)14/h6-7H,1-5H2,(H,11,12)(H,13,14)(H,15,16)
InChIKeyZCKSDXQWEPKXCS-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.22
Rot. Bonds6

About 2-[(2-cyclobutylacetyl)amino]butanedioic acid

2-[(2-cyclobutylacetyl)amino]butanedioic acid (PubChem CID 103162089) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-[(2-cyclobutylacetyl)amino]butanedioic acid.

Molecular Properties

Compound Name2-[(2-cyclobutylacetyl)amino]butanedioic acid
PubChem CID103162089
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name2-[(2-cyclobutylacetyl)amino]butanedioic acid
SMILESO=C(O)CC(NC(=O)CC1CCC1)C(=O)O
InChIInChI=1S/C10H15NO5/c12-8(4-6-2-1-3-6)11-7(10(15)16)5-9(13)14/h6-7H,1-5H2,(H,11,12)(H,13,14)(H,15,16)
InChIKeyZCKSDXQWEPKXCS-UHFFFAOYSA-N
XLogP0.22
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 107822267
2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 103161841
(2S)-2-[(2-cyclohexylacetyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63307198
(2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid
CID 104928841
2-[(2-cycloheptylacetyl)amino]butanoic acid
CID 115909894
(2S)-2-[(2-cyclopropylacetyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63306811
(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid
CID 61151881
2-[(2-cyclopentylacetyl)amino]hexanoic acid
CID 60657212
(2S)-4-amino-2-[[2-(oxan-4-yl)acetyl]amino]-4-oxobutanoic acid
CID 110837443
2-[(2-cyclobutylacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 107864176
2-[(2-cyclopropylacetyl)amino]pentanoic acid
CID 43630437
(2S)-2-[(2-cyclopropylacetyl)amino]-4-methylpentanoic acid
CID 61136657

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclobutylacetyl)amino]butanedioic acid?
The IUPAC name of 2-[(2-cyclobutylacetyl)amino]butanedioic acid (CID 103162089) is 2-[(2-cyclobutylacetyl)amino]butanedioic acid.
What is the SMILES notation for 2-[(2-cyclobutylacetyl)amino]butanedioic acid?
The canonical SMILES for 2-[(2-cyclobutylacetyl)amino]butanedioic acid is O=C(O)CC(NC(=O)CC1CCC1)C(=O)O.
What is the InChIKey of 2-[(2-cyclobutylacetyl)amino]butanedioic acid?
The InChIKey is ZCKSDXQWEPKXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c12-8(4-6-2-1-3-6)11-7(10(15)16)5-9(13)14/h6-7H,1-5H2,(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 2-[(2-cyclobutylacetyl)amino]butanedioic acid?
2-[(2-cyclobutylacetyl)amino]butanedioic acid has a molecular weight of 229.23 g/mol, XLogP of 0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclobutylacetyl)amino]butanedioic acid is sourced from PubChem (CID 103162089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).