(2S)-2-acetamido-4-methyl-N-prop-2-enylpentanamide

C11H20N2O2 — CID 637160

IUPAC(2S)-2-acetamido-4-methyl-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)[C@H](CC(C)C)NC(C)=O
InChIInChI=1S/C11H20N2O2/c1-5-6-12-11(15)10(7-8(2)3)13-9(4)14/h5,8,10H,1,6-7H2,2-4H3,(H,12,15)(H,13,14)/t10-/m0/s1
InChIKeyXVEVBXBTVVHOSP-JTQLQIEISA-N
MW212.29 g/mol
LogP0.84
Rot. Bonds6

About (2S)-2-acetamido-4-methyl-N-prop-2-enylpentanamide

(2S)-2-acetamido-4-methyl-N-prop-2-enylpentanamide (PubChem CID 637160) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2S)-2-acetamido-4-methyl-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-4-methyl-N-prop-2-enylpentanamide
PubChem CID637160
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(2S)-2-acetamido-4-methyl-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)[C@H](CC(C)C)NC(C)=O
InChIInChI=1S/C11H20N2O2/c1-5-6-12-11(15)10(7-8(2)3)13-9(4)14/h5,8,10H,1,6-7H2,2-4H3,(H,12,15)(H,13,14)/t10-/m0/s1
InChIKeyXVEVBXBTVVHOSP-JTQLQIEISA-N
XLogP0.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ac-leu-nhme
CID 6950977
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide
CID 10612186
Glycylleucinamid
CID 6994313
(2S,3S)-2-amino-3-methyl-1-(2H-pyrrol-1(5H)-yl)pentan-1-one
CID 10845163
(2S)-2-[[(2S)-5-amino-2-(butanoylamino)pentanoyl]amino]-4-methylpentanamide
CID 138591148
N~2~-Acetyl-L-ornithyl-L-leucinamide
CID 138603639
AC-Leu-NH2
CID 140111
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-methylpentanamide
CID 10728135
2-Amino-1-(2,5-dihydro-pyrrol-1-yl)-3-methyl-pentan-1-one
CID 44364338
(2R)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 73352938
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 73356020
(3S,6S,12E)-6-methyl-1-(3-methylbutyl)-10-(4-methylpentanoyl)-3-(2-methylpropyl)-1,4,7,10-tetrazacyclotetradec-12-ene-2,5,8-trione
CID 162649428

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-4-methyl-N-prop-2-enylpentanamide?
The IUPAC name of (2S)-2-acetamido-4-methyl-N-prop-2-enylpentanamide (CID 637160) is (2S)-2-acetamido-4-methyl-N-prop-2-enylpentanamide.
What is the SMILES notation for (2S)-2-acetamido-4-methyl-N-prop-2-enylpentanamide?
The canonical SMILES for (2S)-2-acetamido-4-methyl-N-prop-2-enylpentanamide is C=CCNC(=O)[C@H](CC(C)C)NC(C)=O.
What is the InChIKey of (2S)-2-acetamido-4-methyl-N-prop-2-enylpentanamide?
The InChIKey is XVEVBXBTVVHOSP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-6-12-11(15)10(7-8(2)3)13-9(4)14/h5,8,10H,1,6-7H2,2-4H3,(H,12,15)(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-acetamido-4-methyl-N-prop-2-enylpentanamide?
(2S)-2-acetamido-4-methyl-N-prop-2-enylpentanamide has a molecular weight of 212.29 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-4-methyl-N-prop-2-enylpentanamide is sourced from PubChem (CID 637160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).