2-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid

C13H25NO3 — CID 103034722

IUPAC2-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCOC(C)(C)CCNCC1CCCC1C(=O)O
InChIInChI=1S/C13H25NO3/c1-13(2,17-3)7-8-14-9-10-5-4-6-11(10)12(15)16/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyFPKIDBVTNGGQKI-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.89
Rot. Bonds7

About 2-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid

2-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 103034722) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID103034722
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCOC(C)(C)CCNCC1CCCC1C(=O)O
InChIInChI=1S/C13H25NO3/c1-13(2,17-3)7-8-14-9-10-5-4-6-11(10)12(15)16/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyFPKIDBVTNGGQKI-UHFFFAOYSA-N
XLogP1.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclopentane-1-carboxylic acid
CID 104576051
2-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 104763909
trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid
CID 130649468
2-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 114105255
2-[(3,3-dimethylbutylamino)methyl]cyclopropane-1-carboxylic acid
CID 115221630
tert-butyl 3-[[(3-methoxy-3-methylbutyl)amino]methyl]pyrrolidine-1-carboxylate
CID 107242498
2-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79290747
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 103019615
2-[[(3,4-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79181775
2-[[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopentane-1-carboxylic acid
CID 83084004
tert-butyl N-[2-[(2-methylcyclohexyl)methylamino]ethyl]carbamate
CID 112688812

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 103034722) is 2-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid is COC(C)(C)CCNCC1CCCC1C(=O)O.
What is the InChIKey of 2-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is FPKIDBVTNGGQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(2,17-3)7-8-14-9-10-5-4-6-11(10)12(15)16/h10-11,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid?
2-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 243.35 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103034722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).