(2S)-2-(undec-10-enoylamino)pentanediamide

C16H29N3O3 — CID 10979857

IUPAC(2S)-2-(undec-10-enoylamino)pentanediamide
SMILESC=CCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(N)=O
InChIInChI=1S/C16H29N3O3/c1-2-3-4-5-6-7-8-9-10-15(21)19-13(16(18)22)11-12-14(17)20/h2,13H,1,3-12H2,(H2,17,20)(H2,18,22)(H,19,21)/t13-/m0/s1
InChIKeyOGYCQZGLSFHVKZ-ZDUSSCGKSA-N
MW311.43 g/mol
LogP1.53
Rot. Bonds14

About (2S)-2-(undec-10-enoylamino)pentanediamide

(2S)-2-(undec-10-enoylamino)pentanediamide (PubChem CID 10979857) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-2-(undec-10-enoylamino)pentanediamide.

Molecular Properties

Compound Name(2S)-2-(undec-10-enoylamino)pentanediamide
PubChem CID10979857
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name(2S)-2-(undec-10-enoylamino)pentanediamide
SMILESC=CCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(N)=O
InChIInChI=1S/C16H29N3O3/c1-2-3-4-5-6-7-8-9-10-15(21)19-13(16(18)22)11-12-14(17)20/h2,13H,1,3-12H2,(H2,17,20)(H2,18,22)(H,19,21)/t13-/m0/s1
InChIKeyOGYCQZGLSFHVKZ-ZDUSSCGKSA-N
XLogP1.53
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(S)-N-(2,6-Dioxopiperidin-3-yl)undec-10-enamide
CID 9796154
N-[(3S)-2-oxopiperidin-3-yl]undec-10-enamide
CID 11076846
N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]undec-10-enamide
CID 10935747
N-[(3S)-2-oxoazepan-3-yl]undec-10-enamide
CID 11197173
N-[(3S)-2-oxopyrrolidin-3-yl]undec-10-enamide
CID 11369143
N-[(3R)-2,6-dioxopiperidin-3-yl]undec-10-enamide
CID 11380857
(Z)-N-[(2S)-6-amino-1-[4-aminobutanoyl-(2-amino-2-oxoethyl)amino]hexan-2-yl]octadec-9-enamide
CID 57414271
(Z)-N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[4-aminobutanoyl-(2-amino-2-oxoethyl)amino]hexan-2-yl]amino]-1-oxohexan-2-yl]octadec-9-enamide
CID 57414406
trimethyl-[3-[[(2S)-3-methyl-2-(undec-10-enoylamino)butanoyl]amino]propyl]azanium
CID 91435066
3-(Undec-10-enoylamino)-dihydropyridine-2,6(1h,2h)-dione
CID 10402204
N-(2-aminoethyl)undec-10-enamide
CID 15061805
N-ethyl-2-(octadecanoylamino)docos-13-enamide
CID 53659999

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(undec-10-enoylamino)pentanediamide?
The IUPAC name of (2S)-2-(undec-10-enoylamino)pentanediamide (CID 10979857) is (2S)-2-(undec-10-enoylamino)pentanediamide.
What is the SMILES notation for (2S)-2-(undec-10-enoylamino)pentanediamide?
The canonical SMILES for (2S)-2-(undec-10-enoylamino)pentanediamide is C=CCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(N)=O.
What is the InChIKey of (2S)-2-(undec-10-enoylamino)pentanediamide?
The InChIKey is OGYCQZGLSFHVKZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-2-3-4-5-6-7-8-9-10-15(21)19-13(16(18)22)11-12-14(17)20/h2,13H,1,3-12H2,(H2,17,20)(H2,18,22)(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-2-(undec-10-enoylamino)pentanediamide?
(2S)-2-(undec-10-enoylamino)pentanediamide has a molecular weight of 311.43 g/mol, XLogP of 1.53, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(undec-10-enoylamino)pentanediamide is sourced from PubChem (CID 10979857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).