4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-hydroxybutanoic acid

C12H20N2O4 — CID 114007560

IUPAC4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-hydroxybutanoic acid
SMILESO=C(O)C(O)CCNC(=O)N(CC1CC1)C1CC1
InChIInChI=1S/C12H20N2O4/c15-10(11(16)17)5-6-13-12(18)14(9-3-4-9)7-8-1-2-8/h8-10,15H,1-7H2,(H,13,18)(H,16,17)
InChIKeyUVHGQPCYGLCCGX-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.41
Rot. Bonds7

About 4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-hydroxybutanoic acid

4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-hydroxybutanoic acid (PubChem CID 114007560) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-hydroxybutanoic acid
PubChem CID114007560
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-hydroxybutanoic acid
SMILESO=C(O)C(O)CCNC(=O)N(CC1CC1)C1CC1
InChIInChI=1S/C12H20N2O4/c15-10(11(16)17)5-6-13-12(18)14(9-3-4-9)7-8-1-2-8/h8-10,15H,1-7H2,(H,13,18)(H,16,17)
InChIKeyUVHGQPCYGLCCGX-UHFFFAOYSA-N
XLogP0.41
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopropyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838309
4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838455
(2S)-4-[[cyclopropylmethyl(propyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838868
(2S)-4-[[cyclopentylmethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839972
4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 114007356
4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107840485
(2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107840486
2-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463174
(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid
CID 64522000
(2S)-2-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
CID 114007115
(2S)-2-hydroxy-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
CID 107838739
4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
CID 104936189

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-hydroxybutanoic acid (CID 114007560) is 4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-hydroxybutanoic acid is O=C(O)C(O)CCNC(=O)N(CC1CC1)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The InChIKey is UVHGQPCYGLCCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-10(11(16)17)5-6-13-12(18)14(9-3-4-9)7-8-1-2-8/h8-10,15H,1-7H2,(H,13,18)(H,16,17).
What are the key properties of 4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-hydroxybutanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 114007560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).