prop-2-ynyl 3-(cyclopentanecarbonylamino)propanoate

C12H17NO3 — CID 71895695

IUPACprop-2-ynyl 3-(cyclopentanecarbonylamino)propanoate
SMILESC#CCOC(=O)CCNC(=O)C1CCCC1
InChIInChI=1S/C12H17NO3/c1-2-9-16-11(14)7-8-13-12(15)10-5-3-4-6-10/h1,10H,3-9H2,(H,13,15)
InChIKeyBHRWWYGNGYAKTR-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.86
Rot. Bonds5

About prop-2-ynyl 3-(cyclopentanecarbonylamino)propanoate

prop-2-ynyl 3-(cyclopentanecarbonylamino)propanoate (PubChem CID 71895695) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is prop-2-ynyl 3-(cyclopentanecarbonylamino)propanoate.

Molecular Properties

Compound Nameprop-2-ynyl 3-(cyclopentanecarbonylamino)propanoate
PubChem CID71895695
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nameprop-2-ynyl 3-(cyclopentanecarbonylamino)propanoate
SMILESC#CCOC(=O)CCNC(=O)C1CCCC1
InChIInChI=1S/C12H17NO3/c1-2-9-16-11(14)7-8-13-12(15)10-5-3-4-6-10/h1,10H,3-9H2,(H,13,15)
InChIKeyBHRWWYGNGYAKTR-UHFFFAOYSA-N
XLogP0.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydrazinyl-3-oxopropyl)cyclopentanecarboxamide
CID 43348493
pentadecyl 3-(cyclohexanecarbonylamino)propanoate
CID 91741547
N-(3-amino-3-sulfanylidenepropyl)cyclohexanecarboxamide
CID 62665924
prop-2-ynyl 3-cyclopentylsulfonylpropanoate
CID 60562931
N-prop-2-ynylcyclooctanecarboxamide
CID 65020760
[(1S)-1-cyclopropylethyl] 3-(cyclobutanecarbonylamino)propanoate
CID 95572913
ethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate
CID 81141597
4-methylpentan-2-yl 3-(cyclobutanecarbonylamino)propanoate
CID 56801383
prop-2-ynyl 3-[[8-(ethylamino)-8-oxooctanoyl]amino]propanoate
CID 59149057
N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
methyl 6-(cyclohexanecarbonylamino)hexanoate
CID 43404565
(5-chloro-1-methylimidazol-2-yl)methyl 3-(cyclopentanecarbonylamino)propanoate
CID 71895623

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl 3-(cyclopentanecarbonylamino)propanoate?
The IUPAC name of prop-2-ynyl 3-(cyclopentanecarbonylamino)propanoate (CID 71895695) is prop-2-ynyl 3-(cyclopentanecarbonylamino)propanoate.
What is the SMILES notation for prop-2-ynyl 3-(cyclopentanecarbonylamino)propanoate?
The canonical SMILES for prop-2-ynyl 3-(cyclopentanecarbonylamino)propanoate is C#CCOC(=O)CCNC(=O)C1CCCC1.
What is the InChIKey of prop-2-ynyl 3-(cyclopentanecarbonylamino)propanoate?
The InChIKey is BHRWWYGNGYAKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-9-16-11(14)7-8-13-12(15)10-5-3-4-6-10/h1,10H,3-9H2,(H,13,15).
What are the key properties of prop-2-ynyl 3-(cyclopentanecarbonylamino)propanoate?
prop-2-ynyl 3-(cyclopentanecarbonylamino)propanoate has a molecular weight of 223.27 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl 3-(cyclopentanecarbonylamino)propanoate is sourced from PubChem (CID 71895695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).