(2S)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]-4-hydroxybutanoic acid

C12H22N2O5 — CID 107829419

IUPAC(2S)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]-4-hydroxybutanoic acid
SMILESO=C(O)[C@H](CCO)NC(=O)N(CCCO)C1CCC1
InChIInChI=1S/C12H22N2O5/c15-7-2-6-14(9-3-1-4-9)12(19)13-10(5-8-16)11(17)18/h9-10,15-16H,1-8H2,(H,13,19)(H,17,18)/t10-/m0/s1
InChIKeyUNWYBTLSLNYNAB-JTQLQIEISA-N
MW274.32 g/mol
LogP-0.23
Rot. Bonds8

About (2S)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]-4-hydroxybutanoic acid

(2S)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]-4-hydroxybutanoic acid (PubChem CID 107829419) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2S)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]-4-hydroxybutanoic acid
PubChem CID107829419
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name(2S)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]-4-hydroxybutanoic acid
SMILESO=C(O)[C@H](CCO)NC(=O)N(CCCO)C1CCC1
InChIInChI=1S/C12H22N2O5/c15-7-2-6-14(9-3-1-4-9)12(19)13-10(5-8-16)11(17)18/h9-10,15-16H,1-8H2,(H,13,19)(H,17,18)/t10-/m0/s1
InChIKeyUNWYBTLSLNYNAB-JTQLQIEISA-N
XLogP-0.23
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid
CID 107567792
2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]butanoic acid
CID 102865173
(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
(2R)-2-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107828390
1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea
CID 102846228
2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 54998545
(2R)-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid
CID 107839207
2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid
CID 61196404
(2S)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 102865708

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]-4-hydroxybutanoic acid (CID 107829419) is (2S)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]-4-hydroxybutanoic acid is O=C(O)[C@H](CCO)NC(=O)N(CCCO)C1CCC1.
What is the InChIKey of (2S)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]-4-hydroxybutanoic acid?
The InChIKey is UNWYBTLSLNYNAB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O5/c15-7-2-6-14(9-3-1-4-9)12(19)13-10(5-8-16)11(17)18/h9-10,15-16H,1-8H2,(H,13,19)(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]-4-hydroxybutanoic acid?
(2S)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]-4-hydroxybutanoic acid has a molecular weight of 274.32 g/mol, XLogP of -0.23, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107829419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).