(2R)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid

C11H19N3O4 — CID 83194615

IUPAC(2R)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
SMILESC[C@@H](NCC(=O)NC(=O)NC1CCCC1)C(=O)O
InChIInChI=1S/C11H19N3O4/c1-7(10(16)17)12-6-9(15)14-11(18)13-8-4-2-3-5-8/h7-8,12H,2-6H2,1H3,(H,16,17)(H2,13,14,15,18)/t7-/m1/s1
InChIKeySLNJVXDNIRUXDX-SSDOTTSWSA-N
MW257.29 g/mol
LogP-0.18
Rot. Bonds5

About (2R)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid

(2R)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid (PubChem CID 83194615) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2R)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
PubChem CID83194615
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name(2R)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
SMILESC[C@@H](NCC(=O)NC(=O)NC1CCCC1)C(=O)O
InChIInChI=1S/C11H19N3O4/c1-7(10(16)17)12-6-9(15)14-11(18)13-8-4-2-3-5-8/h7-8,12H,2-6H2,1H3,(H,16,17)(H2,13,14,15,18)/t7-/m1/s1
InChIKeySLNJVXDNIRUXDX-SSDOTTSWSA-N
XLogP-0.18
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83192651
(2S)-2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83194919
(2R)-2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoic acid
CID 83194051
(2S)-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]propanoic acid
CID 83193774
6-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-2-methylheptanoic acid
CID 65289330
N-(cyclopentylcarbamoyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132078
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238
N-(cyclohexylcarbamoyl)-2-hydroxyacetamide
CID 16769602
N-cycloheptyl-2-(1-hydroxypropan-2-ylamino)acetamide
CID 62573821
N-cyclopentyl-2-(4-hydroxybutan-2-ylamino)acetamide
CID 83177425
2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263713
N-(cyclohexylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086112

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid (CID 83194615) is (2R)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid is C[C@@H](NCC(=O)NC(=O)NC1CCCC1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is SLNJVXDNIRUXDX-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-7(10(16)17)12-6-9(15)14-11(18)13-8-4-2-3-5-8/h7-8,12H,2-6H2,1H3,(H,16,17)(H2,13,14,15,18)/t7-/m1/s1.
What are the key properties of (2R)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid?
(2R)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 257.29 g/mol, XLogP of -0.18, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 83194615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).