(2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid

C11H20N2O4 — CID 80757095

IUPAC(2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid
SMILESO=C(NCCC1CCCC1)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H20N2O4/c14-7-9(10(15)16)13-11(17)12-6-5-8-3-1-2-4-8/h8-9,14H,1-7H2,(H,15,16)(H2,12,13,17)/t9-/m1/s1
InChIKeyDXUZLMGLVQNBIR-SECBINFHSA-N
MW244.29 g/mol
LogP0.31
Rot. Bonds6

About (2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid

(2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid (PubChem CID 80757095) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid
PubChem CID80757095
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid
SMILESO=C(NCCC1CCCC1)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H20N2O4/c14-7-9(10(15)16)13-11(17)12-6-5-8-3-1-2-4-8/h8-9,14H,1-7H2,(H,15,16)(H2,12,13,17)/t9-/m1/s1
InChIKeyDXUZLMGLVQNBIR-SECBINFHSA-N
XLogP0.31
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-(2-cyclopentylethylcarbamoylamino)-4-oxobutanoic acid
CID 61205396
2-(2-cyclopentylethylcarbamoylamino)pentanoic acid
CID 61205747
2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid
CID 61205392
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid
CID 78976455
2-(2-cyclohexylethylcarbamoylamino)hexanoic acid
CID 61206108
(2S)-2-(2-cyclopentylethylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 61205924
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 104909955
(2R)-2-(2-cyclohexylethylamino)-3-hydroxypropanoic acid
CID 150887709
2-(2-cyclopentylethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 61205743
2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid
CID 61181267
(2S)-4-hydroxy-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]butanoic acid
CID 107827982
(2R)-2-(2-cyclopropylethylcarbamoylamino)hexanedioic acid
CID 107840303

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid (CID 80757095) is (2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid is O=C(NCCC1CCCC1)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid?
The InChIKey is DXUZLMGLVQNBIR-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O4/c14-7-9(10(15)16)13-11(17)12-6-5-8-3-1-2-4-8/h8-9,14H,1-7H2,(H,15,16)(H2,12,13,17)/t9-/m1/s1.
What are the key properties of (2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid?
(2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.31, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 80757095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).