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

C10H18N2O4 — CID 107838309

IUPAC4-[[cyclopropyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
SMILESCCN(C(=O)NCCC(O)C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O4/c1-2-12(7-3-4-7)10(16)11-6-5-8(13)9(14)15/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15)
InChIKeyMOBSOPYRSRGSNK-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.02
Rot. Bonds6

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

4-[[cyclopropyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid (PubChem CID 107838309) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-[[cyclopropyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[[cyclopropyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
PubChem CID107838309
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-[[cyclopropyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
SMILESCCN(C(=O)NCCC(O)C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O4/c1-2-12(7-3-4-7)10(16)11-6-5-8(13)9(14)15/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15)
InChIKeyMOBSOPYRSRGSNK-UHFFFAOYSA-N
XLogP0.02
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838455
4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 114007560
4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107840485
(2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107840486
4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 114007356
4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
CID 104936189
(2S)-2-hydroxy-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
CID 107838739
(2S)-2-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
CID 114007115
(2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838520
(2S)-4-[[cyclopropylmethyl(propyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838868
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838341
3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66167992

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[[cyclopropyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid (CID 107838309) is 4-[[cyclopropyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[[cyclopropyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[[cyclopropyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid is CCN(C(=O)NCCC(O)C(=O)O)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The InChIKey is MOBSOPYRSRGSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-2-12(7-3-4-7)10(16)11-6-5-8(13)9(14)15/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15).
What are the key properties of 4-[[cyclopropyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
4-[[cyclopropyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107838309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).