2-cyclopropyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetic acid

C14H26N2O2 — CID 65077029

IUPAC2-cyclopropyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetic acid
SMILESCC(C)N1CCCC(NC(C(=O)O)C2CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-10(2)16-8-3-4-12(7-9-16)15-13(14(17)18)11-5-6-11/h10-13,15H,3-9H2,1-2H3,(H,17,18)
InChIKeyLKLFTRDLYZYNNO-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.70
Rot. Bonds5

About 2-cyclopropyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetic acid

2-cyclopropyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetic acid (PubChem CID 65077029) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetic acid
PubChem CID65077029
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-cyclopropyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetic acid
SMILESCC(C)N1CCCC(NC(C(=O)O)C2CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-10(2)16-8-3-4-12(7-9-16)15-13(14(17)18)11-5-6-11/h10-13,15H,3-9H2,1-2H3,(H,17,18)
InChIKeyLKLFTRDLYZYNNO-UHFFFAOYSA-N
XLogP1.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid
CID 65061416
2-cyclopropyl-2-[(1-methylpyrrolidin-3-yl)amino]acetic acid
CID 65059922
N-pentan-3-yl-1-propan-2-ylazepan-4-amine
CID 65072876
4-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol
CID 113376079
2-cyclohexyl-2-(cyclopropylamino)acetic acid
CID 43754546
2-[(1-propan-2-ylazepan-4-yl)amino]ethyl carbamate
CID 83210079
2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide
CID 65072399
N-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]propanamide
CID 60677160
1-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
CID 43223565
2-[(1-propan-2-ylazepan-4-yl)amino]ethanol
CID 65074438
N-ethyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetamide
CID 65074642
2-cyclopropyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid
CID 65061467

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetic acid (CID 65077029) is 2-cyclopropyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetic acid is CC(C)N1CCCC(NC(C(=O)O)C2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetic acid?
The InChIKey is LKLFTRDLYZYNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10(2)16-8-3-4-12(7-9-16)15-13(14(17)18)11-5-6-11/h10-13,15H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-cyclopropyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetic acid?
2-cyclopropyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetic acid has a molecular weight of 254.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetic acid is sourced from PubChem (CID 65077029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).