(2R)-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid

C9H16N2O4 — CID 80757557

IUPAC(2R)-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESCN(CC1CC1)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-11(4-6-2-3-6)9(15)10-7(5-12)8(13)14/h6-7,12H,2-5H2,1H3,(H,10,15)(H,13,14)/t7-/m1/s1
InChIKeyTYSKTYQFNPHSMI-SSDOTTSWSA-N
MW216.24 g/mol
LogP-0.52
Rot. Bonds5

About (2R)-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid

(2R)-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid (PubChem CID 80757557) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2R)-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
PubChem CID80757557
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name(2R)-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESCN(CC1CC1)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-11(4-6-2-3-6)9(15)10-7(5-12)8(13)14/h6-7,12H,2-5H2,1H3,(H,10,15)(H,13,14)/t7-/m1/s1
InChIKeyTYSKTYQFNPHSMI-SSDOTTSWSA-N
XLogP-0.52
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756889
2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 55000658
(2R)-4-amino-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107827597
(2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid
CID 63657379
(2R)-3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 80756732
(2S)-4-hydroxy-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]butanoic acid
CID 107827740
(2S)-4-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63717742
(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 80756492
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 63656361
(2S)-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanedioic acid
CID 63707575
(2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61443524
(2R)-4-methyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]pentanoic acid
CID 63234972

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid (CID 80757557) is (2R)-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid is CN(CC1CC1)C(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is TYSKTYQFNPHSMI-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-11(4-6-2-3-6)9(15)10-7(5-12)8(13)14/h6-7,12H,2-5H2,1H3,(H,10,15)(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid?
(2R)-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 216.24 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80757557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).