1-[[(2-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid

C14H17IN2O3 — CID 115433938

IUPAC1-[[(2-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCC1)Nc1ccccc1I
InChIInChI=1S/C14H17IN2O3/c15-10-5-1-2-6-11(10)17-13(20)16-9-14(12(18)19)7-3-4-8-14/h1-2,5-6H,3-4,7-9H2,(H,18,19)(H2,16,17,20)
InChIKeyRNJVCXKFJRTHKH-UHFFFAOYSA-N
MW388.21 g/mol
LogP3.06
Rot. Bonds4

About 1-[[(2-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid

1-[[(2-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433938) has the molecular formula C14H17IN2O3 and a molecular weight of 388.21 g/mol. Its IUPAC name is 1-[[(2-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115433938
Molecular FormulaC14H17IN2O3
Molecular Weight388.21 g/mol
Exact Mass388.03
IUPAC Name1-[[(2-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCC1)Nc1ccccc1I
InChIInChI=1S/C14H17IN2O3/c15-10-5-1-2-6-11(10)17-13(20)16-9-14(12(18)19)7-3-4-8-14/h1-2,5-6H,3-4,7-9H2,(H,18,19)(H2,16,17,20)
InChIKeyRNJVCXKFJRTHKH-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-[[(2-aminophenyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436780
1-[[(4-fluoro-2-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434445
1-[[(2,3-dichlorophenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446379
1-[[(3-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433937
1-[[(4-iodophenyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436676
1-[(2-iodophenyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61184494
1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432866
1-[[(2,3,4-trifluorophenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446301
1-[[(2-cyano-3-fluorophenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446443
1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433544
1-[[(2,5-dibromophenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446547
1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436667

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(2-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (CID 115433938) is 1-[[(2-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCCC1)Nc1ccccc1I.
What is the InChIKey of 1-[[(2-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is RNJVCXKFJRTHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN2O3/c15-10-5-1-2-6-11(10)17-13(20)16-9-14(12(18)19)7-3-4-8-14/h1-2,5-6H,3-4,7-9H2,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[[(2-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[(2-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-[[(2-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).