2-amino-N-[(2S)-2-hydroxypropyl]pent-4-enamide

C8H16N2O2 — CID 107221169

IUPAC2-amino-N-[(2S)-2-hydroxypropyl]pent-4-enamide
SMILESC=CCC(N)C(=O)NC[C@H](C)O
InChIInChI=1S/C8H16N2O2/c1-3-4-7(9)8(12)10-5-6(2)11/h3,6-7,11H,1,4-5,9H2,2H3,(H,10,12)/t6-,7?/m0/s1
InChIKeyCNISQRSRDNSJAI-PKPIPKONSA-N
MW172.23 g/mol
LogP-0.61
Rot. Bonds5

About 2-amino-N-[(2S)-2-hydroxypropyl]pent-4-enamide

2-amino-N-[(2S)-2-hydroxypropyl]pent-4-enamide (PubChem CID 107221169) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-amino-N-[(2S)-2-hydroxypropyl]pent-4-enamide.

Molecular Properties

Compound Name2-amino-N-[(2S)-2-hydroxypropyl]pent-4-enamide
PubChem CID107221169
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-amino-N-[(2S)-2-hydroxypropyl]pent-4-enamide
SMILESC=CCC(N)C(=O)NC[C@H](C)O
InChIInChI=1S/C8H16N2O2/c1-3-4-7(9)8(12)10-5-6(2)11/h3,6-7,11H,1,4-5,9H2,2H3,(H,10,12)/t6-,7?/m0/s1
InChIKeyCNISQRSRDNSJAI-PKPIPKONSA-N
XLogP-0.61
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3,3-dimethylbutyl)pent-4-enamide
CID 112704204
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977
2-amino-N-(6-hydroxyhexyl)pent-4-enamide
CID 107842505
(2S)-2-amino-N-(2-hydroxypropyl)hexanamide
CID 103950098
4-amino-2-methylhepta-1,6-dien-3-one
CID 116606914
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide
CID 96904293
methyl 2-aminopent-4-enoate
CID 10877146
2-amino-N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide
CID 106176820
pent-4-en-2-ol;urea
CID 88650571
ethane;methyl (2S)-2-aminopent-4-enoate
CID 143525314
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide
CID 93083392

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S)-2-hydroxypropyl]pent-4-enamide?
The IUPAC name of 2-amino-N-[(2S)-2-hydroxypropyl]pent-4-enamide (CID 107221169) is 2-amino-N-[(2S)-2-hydroxypropyl]pent-4-enamide.
What is the SMILES notation for 2-amino-N-[(2S)-2-hydroxypropyl]pent-4-enamide?
The canonical SMILES for 2-amino-N-[(2S)-2-hydroxypropyl]pent-4-enamide is C=CCC(N)C(=O)NC[C@H](C)O.
What is the InChIKey of 2-amino-N-[(2S)-2-hydroxypropyl]pent-4-enamide?
The InChIKey is CNISQRSRDNSJAI-PKPIPKONSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-4-7(9)8(12)10-5-6(2)11/h3,6-7,11H,1,4-5,9H2,2H3,(H,10,12)/t6-,7?/m0/s1.
What are the key properties of 2-amino-N-[(2S)-2-hydroxypropyl]pent-4-enamide?
2-amino-N-[(2S)-2-hydroxypropyl]pent-4-enamide has a molecular weight of 172.23 g/mol, XLogP of -0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S)-2-hydroxypropyl]pent-4-enamide is sourced from PubChem (CID 107221169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).