2-[cyclopentyl-(2-propyloxan-4-yl)amino]acetic acid

C15H27NO3 — CID 65058458

IUPAC2-[cyclopentyl-(2-propyloxan-4-yl)amino]acetic acid
SMILESCCCC1CC(N(CC(=O)O)C2CCCC2)CCO1
InChIInChI=1S/C15H27NO3/c1-2-5-14-10-13(8-9-19-14)16(11-15(17)18)12-6-3-4-7-12/h12-14H,2-11H2,1H3,(H,17,18)
InChIKeyRNZOWEYPHBAJJT-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.66
Rot. Bonds6

About 2-[cyclopentyl-(2-propyloxan-4-yl)amino]acetic acid

2-[cyclopentyl-(2-propyloxan-4-yl)amino]acetic acid (PubChem CID 65058458) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[cyclopentyl-(2-propyloxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(2-propyloxan-4-yl)amino]acetic acid
PubChem CID65058458
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[cyclopentyl-(2-propyloxan-4-yl)amino]acetic acid
SMILESCCCC1CC(N(CC(=O)O)C2CCCC2)CCO1
InChIInChI=1S/C15H27NO3/c1-2-5-14-10-13(8-9-19-14)16(11-15(17)18)12-6-3-4-7-12/h12-14H,2-11H2,1H3,(H,17,18)
InChIKeyRNZOWEYPHBAJJT-UHFFFAOYSA-N
XLogP2.66
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-(2-propyloxan-4-yl)amino]acetic acid
CID 65065500
2-[(2-propyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266504
2-[methyl-(2-propyloxan-4-yl)amino]butanoic acid
CID 65068044
2-[tert-butyl-(2-ethyloxan-4-yl)amino]acetic acid
CID 79268341
(2S,4S)-2-propyloxane-4-carboxylic acid
CID 928523
(2S,4R)-2-propyloxane-4-carboxylic acid
CID 7076362
2-[cyclohexyl(oxetan-3-yl)amino]acetic acid
CID 83821316
2-[cyclopropyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid
CID 65057470
2-[1-(2-propyloxan-4-yl)pyrrolidin-2-yl]acetic acid
CID 65067814
2-[butan-2-yl-[2-(oxolan-2-yl)ethyl]amino]acetic acid
CID 65161777
2-[cyclopentyl-(2-methylsulfonylcyclopentyl)amino]acetic acid
CID 65058653
N-(piperidin-3-ylmethyl)-N,2-dipropyloxan-4-amine
CID 106625371

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(2-propyloxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(2-propyloxan-4-yl)amino]acetic acid (CID 65058458) is 2-[cyclopentyl-(2-propyloxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(2-propyloxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(2-propyloxan-4-yl)amino]acetic acid is CCCC1CC(N(CC(=O)O)C2CCCC2)CCO1.
What is the InChIKey of 2-[cyclopentyl-(2-propyloxan-4-yl)amino]acetic acid?
The InChIKey is RNZOWEYPHBAJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-5-14-10-13(8-9-19-14)16(11-15(17)18)12-6-3-4-7-12/h12-14H,2-11H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopentyl-(2-propyloxan-4-yl)amino]acetic acid?
2-[cyclopentyl-(2-propyloxan-4-yl)amino]acetic acid has a molecular weight of 269.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(2-propyloxan-4-yl)amino]acetic acid is sourced from PubChem (CID 65058458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).