1-formamido-4-propylcyclohexane-1-carboxylic acid

C11H19NO3 — CID 63687820

IUPAC1-formamido-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(NC=O)(C(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-2-3-9-4-6-11(7-5-9,10(14)15)12-8-13/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyPHTPRQJEBHZAAP-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.55
Rot. Bonds5

About 1-formamido-4-propylcyclohexane-1-carboxylic acid

1-formamido-4-propylcyclohexane-1-carboxylic acid (PubChem CID 63687820) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-formamido-4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-formamido-4-propylcyclohexane-1-carboxylic acid
PubChem CID63687820
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-formamido-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(NC=O)(C(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-2-3-9-4-6-11(7-5-9,10(14)15)12-8-13/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyPHTPRQJEBHZAAP-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(methylamino)-4-propylcycloheptane-1-carboxylic acid
CID 65088677
1-formamido-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64756305
1-formamido-3,4-dimethylcyclohexane-1-carboxylic acid
CID 64744877
1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid
CID 60994309
1-formamidocyclohexane-1-carboxylic acid
CID 61147418
1-(methylamino)-4-propylcycloheptane-1-carboxamide
CID 65089354
4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid
CID 43341491
1-(3-hydroxypropyl)-4-propylcyclohexane-1-carboxylic acid
CID 79428368
1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79651051
1-cyclopentyl-4-propylcyclohexane-1-carboxylic acid
CID 79428277
1-(oxolan-2-ylmethylamino)-4-propylcycloheptane-1-carboxylic acid
CID 65088728
1-(phenylmethoxycarbonylamino)-4-propylcyclohexane-1-carboxylic acid
CID 103663689

Frequently Asked Questions

What is the IUPAC name of 1-formamido-4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-formamido-4-propylcyclohexane-1-carboxylic acid (CID 63687820) is 1-formamido-4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-formamido-4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-formamido-4-propylcyclohexane-1-carboxylic acid is CCCC1CCC(NC=O)(C(=O)O)CC1.
What is the InChIKey of 1-formamido-4-propylcyclohexane-1-carboxylic acid?
The InChIKey is PHTPRQJEBHZAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-3-9-4-6-11(7-5-9,10(14)15)12-8-13/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 1-formamido-4-propylcyclohexane-1-carboxylic acid?
1-formamido-4-propylcyclohexane-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formamido-4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 63687820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).