(2S)-2-amino-N-[(Z)-1-amino-3-cyclohexyl-3-hydroxyprop-2-enylidene]pentanamide

C14H25N3O2 — CID 142964592

IUPAC(2S)-2-amino-N-[(Z)-1-amino-3-cyclohexyl-3-hydroxyprop-2-enylidene]pentanamide
SMILESCCC[C@H](N)C(=O)/N=C(N)/C=C(\O)C1CCCCC1
InChIInChI=1S/C14H25N3O2/c1-2-6-11(15)14(19)17-13(16)9-12(18)10-7-4-3-5-8-10/h9-11,18H,2-8,15H2,1H3,(H2,16,17,19)/b12-9-/t11-/m0/s1
InChIKeyVRGLJYYMKNCWMN-AWPPVZKDSA-N
MW267.37 g/mol
LogP2.02
Rot. Bonds5

About (2S)-2-amino-N-[(Z)-1-amino-3-cyclohexyl-3-hydroxyprop-2-enylidene]pentanamide

(2S)-2-amino-N-[(Z)-1-amino-3-cyclohexyl-3-hydroxyprop-2-enylidene]pentanamide (PubChem CID 142964592) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[(Z)-1-amino-3-cyclohexyl-3-hydroxyprop-2-enylidene]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(Z)-1-amino-3-cyclohexyl-3-hydroxyprop-2-enylidene]pentanamide
PubChem CID142964592
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(2S)-2-amino-N-[(Z)-1-amino-3-cyclohexyl-3-hydroxyprop-2-enylidene]pentanamide
SMILESCCC[C@H](N)C(=O)/N=C(N)/C=C(\O)C1CCCCC1
InChIInChI=1S/C14H25N3O2/c1-2-6-11(15)14(19)17-13(16)9-12(18)10-7-4-3-5-8-10/h9-11,18H,2-8,15H2,1H3,(H2,16,17,19)/b12-9-/t11-/m0/s1
InChIKeyVRGLJYYMKNCWMN-AWPPVZKDSA-N
XLogP2.02
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(E)-[(Z)-1-amino-3-cyclopentyl-3-hydroxyprop-2-enylidene]urea
CID 137295979
3-amino-1-cyclohexylhexan-1-one
CID 116607761
(2S)-2-amino-N,N-dicyclohexylpentanamide
CID 107568011
cyclohexylmethyl (2R)-2-aminopentanoate
CID 107565760
3-amino-1-cyclopentylhexan-1-one
CID 116607728
cyclopentyl 2-aminopentanoate
CID 61278203
(2S)-2-amino-N-(2-methylcycloheptyl)pentanamide
CID 107569955
(Z)-1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;zirconium
CID 171762262
3-(2-aminopentanoylamino)cyclohexane-1-carboxamide
CID 119309150
2-amino-N-(3-cyclohexylbutan-2-yl)pentanamide
CID 119338034
cyclopentylmethyl (2S)-2-aminopentanoate
CID 107565785
(2R)-2-amino-N-cyclobutyl-N-methylpentanamide
CID 103797073

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(Z)-1-amino-3-cyclohexyl-3-hydroxyprop-2-enylidene]pentanamide?
The IUPAC name of (2S)-2-amino-N-[(Z)-1-amino-3-cyclohexyl-3-hydroxyprop-2-enylidene]pentanamide (CID 142964592) is (2S)-2-amino-N-[(Z)-1-amino-3-cyclohexyl-3-hydroxyprop-2-enylidene]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(Z)-1-amino-3-cyclohexyl-3-hydroxyprop-2-enylidene]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[(Z)-1-amino-3-cyclohexyl-3-hydroxyprop-2-enylidene]pentanamide is CCC[C@H](N)C(=O)/N=C(N)/C=C(\O)C1CCCCC1.
What is the InChIKey of (2S)-2-amino-N-[(Z)-1-amino-3-cyclohexyl-3-hydroxyprop-2-enylidene]pentanamide?
The InChIKey is VRGLJYYMKNCWMN-AWPPVZKDSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-6-11(15)14(19)17-13(16)9-12(18)10-7-4-3-5-8-10/h9-11,18H,2-8,15H2,1H3,(H2,16,17,19)/b12-9-/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(Z)-1-amino-3-cyclohexyl-3-hydroxyprop-2-enylidene]pentanamide?
(2S)-2-amino-N-[(Z)-1-amino-3-cyclohexyl-3-hydroxyprop-2-enylidene]pentanamide has a molecular weight of 267.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(Z)-1-amino-3-cyclohexyl-3-hydroxyprop-2-enylidene]pentanamide is sourced from PubChem (CID 142964592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).