cis-(1R,3S)-3-[(3-hydroxy-4-iodobenzoyl)amino]cyclopentane-1-carboxylic acid

C13H14INO4 — CID 106321411

IUPACcis-(1R,3S)-3-[(3-hydroxy-4-iodobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(I)c(O)c1
InChIInChI=1S/C13H14INO4/c14-10-4-2-7(6-11(10)16)12(17)15-9-3-1-8(5-9)13(18)19/h2,4,6,8-9,16H,1,3,5H2,(H,15,17)(H,18,19)/t8-,9+/m1/s1
InChIKeyWTNWRBXGJUNNPP-BDAKNGLRSA-N
MW375.16 g/mol
LogP1.98
Rot. Bonds3

About cis-(1R,3S)-3-[(3-hydroxy-4-iodobenzoyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(3-hydroxy-4-iodobenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 106321411) has the molecular formula C13H14INO4 and a molecular weight of 375.16 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(3-hydroxy-4-iodobenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(3-hydroxy-4-iodobenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID106321411
Molecular FormulaC13H14INO4
Molecular Weight375.16 g/mol
Exact Mass375.00
IUPAC Namecis-(1R,3S)-3-[(3-hydroxy-4-iodobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(I)c(O)c1
InChIInChI=1S/C13H14INO4/c14-10-4-2-7(6-11(10)16)12(17)15-9-3-1-8(5-9)13(18)19/h2,4,6,8-9,16H,1,3,5H2,(H,15,17)(H,18,19)/t8-,9+/m1/s1
InChIKeyWTNWRBXGJUNNPP-BDAKNGLRSA-N
XLogP1.98
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.16
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide
CID 113434643
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
3-[(2-chloropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103932881
cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318365
cis-(1R,3S)-3-[(4-amino-3-bromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106322664
cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320083
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107688102
cis-(1R,3S)-3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106319993
cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676239
cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 114173152

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(3-hydroxy-4-iodobenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(3-hydroxy-4-iodobenzoyl)amino]cyclopentane-1-carboxylic acid (CID 106321411) is cis-(1R,3S)-3-[(3-hydroxy-4-iodobenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(3-hydroxy-4-iodobenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(3-hydroxy-4-iodobenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(I)c(O)c1.
What is the InChIKey of cis-(1R,3S)-3-[(3-hydroxy-4-iodobenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is WTNWRBXGJUNNPP-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H14INO4/c14-10-4-2-7(6-11(10)16)12(17)15-9-3-1-8(5-9)13(18)19/h2,4,6,8-9,16H,1,3,5H2,(H,15,17)(H,18,19)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(3-hydroxy-4-iodobenzoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(3-hydroxy-4-iodobenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 375.16 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(3-hydroxy-4-iodobenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106321411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).