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

C15H28N2O2 — CID 65076862

IUPAC2-[cyclopropylmethyl-(1-propan-2-ylazepan-4-yl)amino]acetic acid
SMILESCC(C)N1CCCC(N(CC(=O)O)CC2CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)16-8-3-4-14(7-9-16)17(11-15(18)19)10-13-5-6-13/h12-14H,3-11H2,1-2H3,(H,18,19)
InChIKeyNBCXZIQGQCWCCG-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.05
Rot. Bonds6

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

2-[cyclopropylmethyl-(1-propan-2-ylazepan-4-yl)amino]acetic acid (PubChem CID 65076862) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(1-propan-2-ylazepan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(1-propan-2-ylazepan-4-yl)amino]acetic acid
PubChem CID65076862
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[cyclopropylmethyl-(1-propan-2-ylazepan-4-yl)amino]acetic acid
SMILESCC(C)N1CCCC(N(CC(=O)O)CC2CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)16-8-3-4-14(7-9-16)17(11-15(18)19)10-13-5-6-13/h12-14H,3-11H2,1-2H3,(H,18,19)
InChIKeyNBCXZIQGQCWCCG-UHFFFAOYSA-N
XLogP2.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 61342644
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CID 65055001
2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid
CID 65057099
4-[methyl-(1-propan-2-ylazepan-4-yl)amino]butanoic acid
CID 65076652
2-[2-(dimethylamino)ethyl-(1-methylazepan-4-yl)amino]acetic acid
CID 107426097
2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid
CID 103565060
2-[cyclopentyl(2-methylpropyl)amino]acetic acid
CID 60835237
2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid
CID 66565594
2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid
CID 64728458
2-[cyclopropylmethyl-(3-ethylcyclopentyl)amino]acetic acid
CID 65055054
2-[cyclopropylmethyl-(3,3,5,5-tetramethylcyclohexyl)amino]acetic acid
CID 103961392

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(1-propan-2-ylazepan-4-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(1-propan-2-ylazepan-4-yl)amino]acetic acid (CID 65076862) is 2-[cyclopropylmethyl-(1-propan-2-ylazepan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(1-propan-2-ylazepan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(1-propan-2-ylazepan-4-yl)amino]acetic acid is CC(C)N1CCCC(N(CC(=O)O)CC2CC2)CC1.
What is the InChIKey of 2-[cyclopropylmethyl-(1-propan-2-ylazepan-4-yl)amino]acetic acid?
The InChIKey is NBCXZIQGQCWCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)16-8-3-4-14(7-9-16)17(11-15(18)19)10-13-5-6-13/h12-14H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[cyclopropylmethyl-(1-propan-2-ylazepan-4-yl)amino]acetic acid?
2-[cyclopropylmethyl-(1-propan-2-ylazepan-4-yl)amino]acetic acid has a molecular weight of 268.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(1-propan-2-ylazepan-4-yl)amino]acetic acid is sourced from PubChem (CID 65076862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).