(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid

C10H18N2O4 — CID 61202887

IUPAC(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESCC(C1CC1)N(C)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6(7-3-4-7)12(2)10(16)11-8(5-13)9(14)15/h6-8,13H,3-5H2,1-2H3,(H,11,16)(H,14,15)/t6?,8-/m0/s1
InChIKeyUCAWOKOSEAUCJN-XDKWHASVSA-N
MW230.26 g/mol
LogP-0.13
Rot. Bonds5

About (2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid

(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid (PubChem CID 61202887) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
PubChem CID61202887
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESCC(C1CC1)N(C)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6(7-3-4-7)12(2)10(16)11-8(5-13)9(14)15/h6-8,13H,3-5H2,1-2H3,(H,11,16)(H,14,15)/t6?,8-/m0/s1
InChIKeyUCAWOKOSEAUCJN-XDKWHASVSA-N
XLogP-0.13
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81086122
(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 61202510
(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 61203080
(2R)-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80757557
2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 55000658
(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756889
(2R)-3-hydroxy-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 80757694
(2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838520
4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid
CID 61181963
1-(1-cyclopropylethyl)-1-methyl-3-propylurea
CID 115577776
(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 80756492
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid
CID 104553016

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid (CID 61202887) is (2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid is CC(C1CC1)N(C)C(=O)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is UCAWOKOSEAUCJN-XDKWHASVSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6(7-3-4-7)12(2)10(16)11-8(5-13)9(14)15/h6-8,13H,3-5H2,1-2H3,(H,11,16)(H,14,15)/t6?,8-/m0/s1.
What are the key properties of (2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid?
(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 61202887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).