2-[1-[(4-tert-butylazepan-1-yl)methyl]cyclopropyl]acetic acid

C16H29NO2 — CID 65498029

IUPAC2-[1-[(4-tert-butylazepan-1-yl)methyl]cyclopropyl]acetic acid
SMILESCC(C)(C)C1CCCN(CC2(CC(=O)O)CC2)CC1
InChIInChI=1S/C16H29NO2/c1-15(2,3)13-5-4-9-17(10-6-13)12-16(7-8-16)11-14(18)19/h13H,4-12H2,1-3H3,(H,18,19)
InChIKeyFANIZLLTVGROKH-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.39
Rot. Bonds4

About 2-[1-[(4-tert-butylazepan-1-yl)methyl]cyclopropyl]acetic acid

2-[1-[(4-tert-butylazepan-1-yl)methyl]cyclopropyl]acetic acid (PubChem CID 65498029) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-[1-[(4-tert-butylazepan-1-yl)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-tert-butylazepan-1-yl)methyl]cyclopropyl]acetic acid
PubChem CID65498029
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-[1-[(4-tert-butylazepan-1-yl)methyl]cyclopropyl]acetic acid
SMILESCC(C)(C)C1CCCN(CC2(CC(=O)O)CC2)CC1
InChIInChI=1S/C16H29NO2/c1-15(2,3)13-5-4-9-17(10-6-13)12-16(7-8-16)11-14(18)19/h13H,4-12H2,1-3H3,(H,18,19)
InChIKeyFANIZLLTVGROKH-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-propan-2-ylazepan-1-yl)methyl]cyclopropyl]acetic acid
CID 65497815
2-[1-[(4-tert-butylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide
CID 65498092
2-[1-[(4-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid
CID 65498439
2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid
CID 102968613
2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid
CID 65498651
4-tert-butyl-N-methylazepane-1-carboxamide
CID 115631035
2-[1-(morpholin-4-ylmethyl)cyclobutyl]acetic acid
CID 81167706
6-[(4-tert-butylazepan-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904201
2-(4-tert-butyl-1-morpholin-4-ylcycloheptyl)acetic acid
CID 65094530
2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]acetic acid
CID 103540468
3-[(4-tert-butylazepane-1-carbonyl)amino]-3-methylbutanoic acid
CID 64701528
6-[(4-tert-butylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79843711

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-tert-butylazepan-1-yl)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(4-tert-butylazepan-1-yl)methyl]cyclopropyl]acetic acid (CID 65498029) is 2-[1-[(4-tert-butylazepan-1-yl)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-tert-butylazepan-1-yl)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(4-tert-butylazepan-1-yl)methyl]cyclopropyl]acetic acid is CC(C)(C)C1CCCN(CC2(CC(=O)O)CC2)CC1.
What is the InChIKey of 2-[1-[(4-tert-butylazepan-1-yl)methyl]cyclopropyl]acetic acid?
The InChIKey is FANIZLLTVGROKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-15(2,3)13-5-4-9-17(10-6-13)12-16(7-8-16)11-14(18)19/h13H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-[(4-tert-butylazepan-1-yl)methyl]cyclopropyl]acetic acid?
2-[1-[(4-tert-butylazepan-1-yl)methyl]cyclopropyl]acetic acid has a molecular weight of 267.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-tert-butylazepan-1-yl)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65498029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).