2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]butanoic acid

C12H22N2O4 — CID 102865173

IUPAC2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]butanoic acid
SMILESCCC(NC(=O)N(CCCO)C1CCC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-2-10(11(16)17)13-12(18)14(7-4-8-15)9-5-3-6-9/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeySXUMJYQQIAQYCC-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.80
Rot. Bonds7

About 2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]butanoic acid

2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]butanoic acid (PubChem CID 102865173) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]butanoic acid
PubChem CID102865173
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]butanoic acid
SMILESCCC(NC(=O)N(CCCO)C1CCC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-2-10(11(16)17)13-12(18)14(7-4-8-15)9-5-3-6-9/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeySXUMJYQQIAQYCC-UHFFFAOYSA-N
XLogP0.80
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid
CID 107567792
(2S)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107829419
1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea
CID 102846228
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid
CID 54987589
2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 54998545
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826087
2-[[cyclopentyl(ethyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61227565
2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61228339
(2R)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid
CID 107841430
(2S)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 102865708
2-[[cycloheptyl(methyl)carbamoyl]amino]butanoic acid
CID 61201094
2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61190467

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]butanoic acid (CID 102865173) is 2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]butanoic acid is CCC(NC(=O)N(CCCO)C1CCC1)C(=O)O.
What is the InChIKey of 2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]butanoic acid?
The InChIKey is SXUMJYQQIAQYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-10(11(16)17)13-12(18)14(7-4-8-15)9-5-3-6-9/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]butanoic acid?
2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 102865173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).