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

C12H24N2O2 — CID 65236826

IUPAC2-[4-(methylamino)-1-propan-2-ylazepan-4-yl]acetic acid
SMILESCNC1(CC(=O)O)CCCN(C(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-10(2)14-7-4-5-12(13-3,6-8-14)9-11(15)16/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyRCSXCAKPTUUXQU-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.31
Rot. Bonds4

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

2-[4-(methylamino)-1-propan-2-ylazepan-4-yl]acetic acid (PubChem CID 65236826) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[4-(methylamino)-1-propan-2-ylazepan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(methylamino)-1-propan-2-ylazepan-4-yl]acetic acid
PubChem CID65236826
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[4-(methylamino)-1-propan-2-ylazepan-4-yl]acetic acid
SMILESCNC1(CC(=O)O)CCCN(C(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-10(2)14-7-4-5-12(13-3,6-8-14)9-11(15)16/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyRCSXCAKPTUUXQU-UHFFFAOYSA-N
XLogP1.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-methyl-4-(methylamino)piperidin-4-yl]acetic acid
CID 65236604
2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid
CID 62395408
2-[8-(methylamino)spiro[4.5]decan-8-yl]acetic acid
CID 114820838
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615
2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)acetic acid
CID 105468786
2-[4-(ethylamino)-1-propan-2-ylazepan-4-yl]ethanol
CID 65235226
2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid
CID 106821085
[4-(methylamino)-1-propan-2-ylpiperidin-4-yl]methyl formate
CID 153405055
[4-(benzylamino)-1-propan-2-ylazepan-4-yl]methanol
CID 65077679
2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid
CID 114873756
2-(4-hydroxy-1-propan-2-ylazepan-4-yl)butanoic acid
CID 65076966
2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid
CID 81080778

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)-1-propan-2-ylazepan-4-yl]acetic acid?
The IUPAC name of 2-[4-(methylamino)-1-propan-2-ylazepan-4-yl]acetic acid (CID 65236826) is 2-[4-(methylamino)-1-propan-2-ylazepan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-(methylamino)-1-propan-2-ylazepan-4-yl]acetic acid?
The canonical SMILES for 2-[4-(methylamino)-1-propan-2-ylazepan-4-yl]acetic acid is CNC1(CC(=O)O)CCCN(C(C)C)CC1.
What is the InChIKey of 2-[4-(methylamino)-1-propan-2-ylazepan-4-yl]acetic acid?
The InChIKey is RCSXCAKPTUUXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)14-7-4-5-12(13-3,6-8-14)9-11(15)16/h10,13H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[4-(methylamino)-1-propan-2-ylazepan-4-yl]acetic acid?
2-[4-(methylamino)-1-propan-2-ylazepan-4-yl]acetic acid has a molecular weight of 228.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)-1-propan-2-ylazepan-4-yl]acetic acid is sourced from PubChem (CID 65236826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).