(2S)-2-acetamido-N-prop-2-enylpentanediamide

C10H17N3O3 — CID 165430627

IUPAC(2S)-2-acetamido-N-prop-2-enylpentanediamide
SMILESC=CCNC(=O)[C@H](CCC(N)=O)NC(C)=O
InChIInChI=1S/C10H17N3O3/c1-3-6-12-10(16)8(13-7(2)14)4-5-9(11)15/h3,8H,1,4-6H2,2H3,(H2,11,15)(H,12,16)(H,13,14)/t8-/m0/s1
InChIKeyHRGCJYNJCSFORH-QMMMGPOBSA-N
MW227.26 g/mol
LogP-0.94
Rot. Bonds7

About (2S)-2-acetamido-N-prop-2-enylpentanediamide

(2S)-2-acetamido-N-prop-2-enylpentanediamide (PubChem CID 165430627) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is (2S)-2-acetamido-N-prop-2-enylpentanediamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-prop-2-enylpentanediamide
PubChem CID165430627
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name(2S)-2-acetamido-N-prop-2-enylpentanediamide
SMILESC=CCNC(=O)[C@H](CCC(N)=O)NC(C)=O
InChIInChI=1S/C10H17N3O3/c1-3-6-12-10(16)8(13-7(2)14)4-5-9(11)15/h3,8H,1,4-6H2,2H3,(H2,11,15)(H,12,16)(H,13,14)/t8-/m0/s1
InChIKeyHRGCJYNJCSFORH-QMMMGPOBSA-N
XLogP-0.94
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-prop-2-enylpentanediamide?
The IUPAC name of (2S)-2-acetamido-N-prop-2-enylpentanediamide (CID 165430627) is (2S)-2-acetamido-N-prop-2-enylpentanediamide.
What is the SMILES notation for (2S)-2-acetamido-N-prop-2-enylpentanediamide?
The canonical SMILES for (2S)-2-acetamido-N-prop-2-enylpentanediamide is C=CCNC(=O)[C@H](CCC(N)=O)NC(C)=O.
What is the InChIKey of (2S)-2-acetamido-N-prop-2-enylpentanediamide?
The InChIKey is HRGCJYNJCSFORH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-3-6-12-10(16)8(13-7(2)14)4-5-9(11)15/h3,8H,1,4-6H2,2H3,(H2,11,15)(H,12,16)(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-prop-2-enylpentanediamide?
(2S)-2-acetamido-N-prop-2-enylpentanediamide has a molecular weight of 227.26 g/mol, XLogP of -0.94, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-prop-2-enylpentanediamide is sourced from PubChem (CID 165430627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).