(2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid

C11H20N2O4 — CID 107838520

IUPAC(2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
SMILESCC(C1CC1)N(C)C(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(8-3-4-8)13(2)11(17)12-6-5-9(14)10(15)16/h7-9,14H,3-6H2,1-2H3,(H,12,17)(H,15,16)/t7?,9-/m0/s1
InChIKeyHFIGLYHAZFRTBN-NETXQHHPSA-N
MW244.29 g/mol
LogP0.26
Rot. Bonds6

About (2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid

(2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid (PubChem CID 107838520) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
PubChem CID107838520
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
SMILESCC(C1CC1)N(C)C(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(8-3-4-8)13(2)11(17)12-6-5-9(14)10(15)16/h7-9,14H,3-6H2,1-2H3,(H,12,17)(H,15,16)/t7?,9-/m0/s1
InChIKeyHFIGLYHAZFRTBN-NETXQHHPSA-N
XLogP0.26
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid with MolForge

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Related Compounds

1-(1-cyclopropylethyl)-1-methyl-3-propylurea
CID 115577776
4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
CID 104936189
4-[[cyclopropyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838309
(2S)-4-[[cyclopentylmethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839972
(2S)-4-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839895
(2S)-4-(2-cyclopropylpropylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841065
(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
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(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838455
(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 61202510

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid (CID 107838520) is (2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid is CC(C1CC1)N(C)C(=O)NCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The InChIKey is HFIGLYHAZFRTBN-NETXQHHPSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(8-3-4-8)13(2)11(17)12-6-5-9(14)10(15)16/h7-9,14H,3-6H2,1-2H3,(H,12,17)(H,15,16)/t7?,9-/m0/s1.
What are the key properties of (2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid?
(2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107838520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).