(2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-hydroxybutanoic acid

C10H16N2O4 — CID 107829012

IUPAC(2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-hydroxybutanoic acid
SMILESO=C(NC1CC=CC1)N[C@H](CCO)C(=O)O
InChIInChI=1S/C10H16N2O4/c13-6-5-8(9(14)15)12-10(16)11-7-3-1-2-4-7/h1-2,7-8,13H,3-6H2,(H,14,15)(H2,11,12,16)/t8-/m1/s1
InChIKeyVYNMAAHLWYUBJX-MRVPVSSYSA-N
MW228.25 g/mol
LogP-0.16
Rot. Bonds5

About (2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-hydroxybutanoic acid

(2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-hydroxybutanoic acid (PubChem CID 107829012) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is (2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-hydroxybutanoic acid
PubChem CID107829012
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name(2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-hydroxybutanoic acid
SMILESO=C(NC1CC=CC1)N[C@H](CCO)C(=O)O
InChIInChI=1S/C10H16N2O4/c13-6-5-8(9(14)15)12-10(16)11-7-3-1-2-4-7/h1-2,7-8,13H,3-6H2,(H,14,15)(H2,11,12,16)/t8-/m1/s1
InChIKeyVYNMAAHLWYUBJX-MRVPVSSYSA-N
XLogP-0.16
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 104910598
(2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid
CID 114005381
(2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid
CID 107826347
(2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid
CID 107823850
(2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 107826156
(2R)-4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 107826759
4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 54949791
(2R)-4-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid
CID 107827485
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162
2-[(3-ethylsulfanylcyclopentyl)carbamoylamino]-4-hydroxybutanoic acid
CID 114124148
(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005796
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-hydroxybutanoic acid (CID 107829012) is (2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-hydroxybutanoic acid is O=C(NC1CC=CC1)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-hydroxybutanoic acid?
The InChIKey is VYNMAAHLWYUBJX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-6-5-8(9(14)15)12-10(16)11-7-3-1-2-4-7/h1-2,7-8,13H,3-6H2,(H,14,15)(H2,11,12,16)/t8-/m1/s1.
What are the key properties of (2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-hydroxybutanoic acid?
(2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-hydroxybutanoic acid has a molecular weight of 228.25 g/mol, XLogP of -0.16, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-hydroxybutanoic acid is sourced from PubChem (CID 107829012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).