(2S,3S)-3-methyl-N-pentan-3-yl-2-(prop-2-enoylamino)pentanamide

C14H26N2O2 — CID 142711774

IUPAC(2S,3S)-3-methyl-N-pentan-3-yl-2-(prop-2-enoylamino)pentanamide
SMILESC=CC(=O)N[C@H](C(=O)NC(CC)CC)[C@@H](C)CC
InChIInChI=1S/C14H26N2O2/c1-6-10(5)13(16-12(17)9-4)14(18)15-11(7-2)8-3/h9-11,13H,4,6-8H2,1-3,5H3,(H,15,18)(H,16,17)/t10-,13-/m0/s1
InChIKeyQICRBZBGULFJDM-GWCFXTLKSA-N
MW254.37 g/mol
LogP2.01
Rot. Bonds8

About (2S,3S)-3-methyl-N-pentan-3-yl-2-(prop-2-enoylamino)pentanamide

(2S,3S)-3-methyl-N-pentan-3-yl-2-(prop-2-enoylamino)pentanamide (PubChem CID 142711774) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2S,3S)-3-methyl-N-pentan-3-yl-2-(prop-2-enoylamino)pentanamide.

Molecular Properties

Compound Name(2S,3S)-3-methyl-N-pentan-3-yl-2-(prop-2-enoylamino)pentanamide
PubChem CID142711774
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(2S,3S)-3-methyl-N-pentan-3-yl-2-(prop-2-enoylamino)pentanamide
SMILESC=CC(=O)N[C@H](C(=O)NC(CC)CC)[C@@H](C)CC
InChIInChI=1S/C14H26N2O2/c1-6-10(5)13(16-12(17)9-4)14(18)15-11(7-2)8-3/h9-11,13H,4,6-8H2,1-3,5H3,(H,15,18)(H,16,17)/t10-,13-/m0/s1
InChIKeyQICRBZBGULFJDM-GWCFXTLKSA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-N-pentan-3-yl-2-(prop-2-enoylamino)pentanamide?
The IUPAC name of (2S,3S)-3-methyl-N-pentan-3-yl-2-(prop-2-enoylamino)pentanamide (CID 142711774) is (2S,3S)-3-methyl-N-pentan-3-yl-2-(prop-2-enoylamino)pentanamide.
What is the SMILES notation for (2S,3S)-3-methyl-N-pentan-3-yl-2-(prop-2-enoylamino)pentanamide?
The canonical SMILES for (2S,3S)-3-methyl-N-pentan-3-yl-2-(prop-2-enoylamino)pentanamide is C=CC(=O)N[C@H](C(=O)NC(CC)CC)[C@@H](C)CC.
What is the InChIKey of (2S,3S)-3-methyl-N-pentan-3-yl-2-(prop-2-enoylamino)pentanamide?
The InChIKey is QICRBZBGULFJDM-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-6-10(5)13(16-12(17)9-4)14(18)15-11(7-2)8-3/h9-11,13H,4,6-8H2,1-3,5H3,(H,15,18)(H,16,17)/t10-,13-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-N-pentan-3-yl-2-(prop-2-enoylamino)pentanamide?
(2S,3S)-3-methyl-N-pentan-3-yl-2-(prop-2-enoylamino)pentanamide has a molecular weight of 254.37 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-N-pentan-3-yl-2-(prop-2-enoylamino)pentanamide is sourced from PubChem (CID 142711774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).