(1R)-1-amino-3-[hydroxy(methyl)phosphoryl]cyclopent-2-ene-1-carboxylic acid

C7H12NO4P — CID 91898950

IUPAC(1R)-1-amino-3-[hydroxy(methyl)phosphoryl]cyclopent-2-ene-1-carboxylic acid
SMILESCP(=O)(O)C1=C[C@@](N)(C(=O)O)CC1
InChIInChI=1S/C7H12NO4P/c1-13(11,12)5-2-3-7(8,4-5)6(9)10/h4H,2-3,8H2,1H3,(H,9,10)(H,11,12)/t7-/m1/s1
InChIKeyQFTHJXLONCERKI-SSDOTTSWSA-N
MW205.15 g/mol
LogP0.35
Rot. Bonds2

About (1R)-1-amino-3-[hydroxy(methyl)phosphoryl]cyclopent-2-ene-1-carboxylic acid

(1R)-1-amino-3-[hydroxy(methyl)phosphoryl]cyclopent-2-ene-1-carboxylic acid (PubChem CID 91898950) has the molecular formula C7H12NO4P and a molecular weight of 205.15 g/mol. Its IUPAC name is (1R)-1-amino-3-[hydroxy(methyl)phosphoryl]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-1-amino-3-[hydroxy(methyl)phosphoryl]cyclopent-2-ene-1-carboxylic acid
PubChem CID91898950
Molecular FormulaC7H12NO4P
Molecular Weight205.15 g/mol
Exact Mass205.05
IUPAC Name(1R)-1-amino-3-[hydroxy(methyl)phosphoryl]cyclopent-2-ene-1-carboxylic acid
SMILESCP(=O)(O)C1=C[C@@](N)(C(=O)O)CC1
InChIInChI=1S/C7H12NO4P/c1-13(11,12)5-2-3-7(8,4-5)6(9)10/h4H,2-3,8H2,1H3,(H,9,10)(H,11,12)/t7-/m1/s1
InChIKeyQFTHJXLONCERKI-SSDOTTSWSA-N
XLogP0.35
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.15
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-3-[hydroxy(methyl)phosphoryl]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of (1R)-1-amino-3-[hydroxy(methyl)phosphoryl]cyclopent-2-ene-1-carboxylic acid (CID 91898950) is (1R)-1-amino-3-[hydroxy(methyl)phosphoryl]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for (1R)-1-amino-3-[hydroxy(methyl)phosphoryl]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for (1R)-1-amino-3-[hydroxy(methyl)phosphoryl]cyclopent-2-ene-1-carboxylic acid is CP(=O)(O)C1=C[C@@](N)(C(=O)O)CC1.
What is the InChIKey of (1R)-1-amino-3-[hydroxy(methyl)phosphoryl]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is QFTHJXLONCERKI-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12NO4P/c1-13(11,12)5-2-3-7(8,4-5)6(9)10/h4H,2-3,8H2,1H3,(H,9,10)(H,11,12)/t7-/m1/s1.
What are the key properties of (1R)-1-amino-3-[hydroxy(methyl)phosphoryl]cyclopent-2-ene-1-carboxylic acid?
(1R)-1-amino-3-[hydroxy(methyl)phosphoryl]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 205.15 g/mol, XLogP of 0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-3-[hydroxy(methyl)phosphoryl]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 91898950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).