N-[(1S)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide

C12H22N2O — CID 81388626

IUPACN-[(1S)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N[C@@H](C)C1CCCC1
InChIInChI=1S/C12H22N2O/c1-3-8-13-9-12(15)14-10(2)11-6-4-5-7-11/h3,10-11,13H,1,4-9H2,2H3,(H,14,15)/t10-/m0/s1
InChIKeyAACKZYWODAPAIV-JTQLQIEISA-N
MW210.32 g/mol
LogP1.46
Rot. Bonds6

About N-[(1S)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide

N-[(1S)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide (PubChem CID 81388626) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide
PubChem CID81388626
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[(1S)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N[C@@H](C)C1CCCC1
InChIInChI=1S/C12H22N2O/c1-3-8-13-9-12(15)14-10(2)11-6-4-5-7-11/h3,10-11,13H,1,4-9H2,2H3,(H,14,15)/t10-/m0/s1
InChIKeyAACKZYWODAPAIV-JTQLQIEISA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide
CID 81388659
N-cyclopentyl-2-(prop-2-enylamino)acetamide
CID 28563506
N-(dicyclopropylmethyl)-2-(prop-2-enylamino)acetamide
CID 112723968
N-cyclooctyl-2-(prop-2-enylamino)acetamide
CID 78908315
N-[(1S)-1-cycloheptylethyl]-2-(propylamino)acetamide
CID 81393460
N-[(1R)-1-cyclopentylethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 81389110
2-(cyclopentylamino)-N-[(1R)-1-cyclopentylethyl]acetamide
CID 81389612
N-(1-cyclohexylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79005691
2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide
CID 115903241
N-[(1R)-1-cycloheptylethyl]-2-(2-methoxyethylamino)acetamide
CID 81393093
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
(2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid
CID 79278714

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[(1S)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide (CID 81388626) is N-[(1S)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[(1S)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[(1S)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)N[C@@H](C)C1CCCC1.
What is the InChIKey of N-[(1S)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is AACKZYWODAPAIV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-8-13-9-12(15)14-10(2)11-6-4-5-7-11/h3,10-11,13H,1,4-9H2,2H3,(H,14,15)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide?
N-[(1S)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 210.32 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 81388626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).