1-[[(3-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid

C14H17IN2O3 — CID 115433937

IUPAC1-[[(3-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCC1)Nc1cccc(I)c1
InChIInChI=1S/C14H17IN2O3/c15-10-4-3-5-11(8-10)17-13(20)16-9-14(12(18)19)6-1-2-7-14/h3-5,8H,1-2,6-7,9H2,(H,18,19)(H2,16,17,20)
InChIKeyINOMQNHNVWOARV-UHFFFAOYSA-N
MW388.21 g/mol
LogP3.06
Rot. Bonds4

About 1-[[(3-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid

1-[[(3-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433937) has the molecular formula C14H17IN2O3 and a molecular weight of 388.21 g/mol. Its IUPAC name is 1-[[(3-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115433937
Molecular FormulaC14H17IN2O3
Molecular Weight388.21 g/mol
Exact Mass388.03
IUPAC Name1-[[(3-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCC1)Nc1cccc(I)c1
InChIInChI=1S/C14H17IN2O3/c15-10-4-3-5-11(8-10)17-13(20)16-9-14(12(18)19)6-1-2-7-14/h3-5,8H,1-2,6-7,9H2,(H,18,19)(H2,16,17,20)
InChIKeyINOMQNHNVWOARV-UHFFFAOYSA-N
XLogP3.06
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[(4-iodophenyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436676
1-[[(2-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433938
1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433949
1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674707
1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436667
1-[(thiophen-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436981
1-[[(4-chloro-3-fluorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434138
2-(1-hydroxycyclopentyl)-N-(3-iodophenyl)acetamide
CID 111432130
1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433087
4-[[(4-iodophenyl)carbamoylamino]methyl]oxane-4-carboxylic acid
CID 115440290
1-[[(4-fluoro-2-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434445
3-[(3-iodophenyl)carbamoylamino]benzoic acid
CID 61193019

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(3-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (CID 115433937) is 1-[[(3-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(3-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCCC1)Nc1cccc(I)c1.
What is the InChIKey of 1-[[(3-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is INOMQNHNVWOARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN2O3/c15-10-4-3-5-11(8-10)17-13(20)16-9-14(12(18)19)6-1-2-7-14/h3-5,8H,1-2,6-7,9H2,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[[(3-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[(3-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 388.21 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).