(2R)-2-amino-2-benzylpent-4-enamide

C12H16N2O — CID 135080853

IUPAC(2R)-2-amino-2-benzylpent-4-enamide
SMILESC=CC[C@@](N)(Cc1ccccc1)C(N)=O
InChIInChI=1S/C12H16N2O/c1-2-8-12(14,11(13)15)9-10-6-4-3-5-7-10/h2-7H,1,8-9,14H2,(H2,13,15)/t12-/m1/s1
InChIKeyRBKGHHJYVHUWSS-GFCCVEGCSA-N
MW204.27 g/mol
LogP0.99
Rot. Bonds5

About (2R)-2-amino-2-benzylpent-4-enamide

(2R)-2-amino-2-benzylpent-4-enamide (PubChem CID 135080853) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (2R)-2-amino-2-benzylpent-4-enamide.

Molecular Properties

Compound Name(2R)-2-amino-2-benzylpent-4-enamide
PubChem CID135080853
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(2R)-2-amino-2-benzylpent-4-enamide
SMILESC=CC[C@@](N)(Cc1ccccc1)C(N)=O
InChIInChI=1S/C12H16N2O/c1-2-8-12(14,11(13)15)9-10-6-4-3-5-7-10/h2-7H,1,8-9,14H2,(H2,13,15)/t12-/m1/s1
InChIKeyRBKGHHJYVHUWSS-GFCCVEGCSA-N
XLogP0.99
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.99
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

3-benzyl-3-prop-2-enylpentane-2,4-dione
CID 154723587
4-benzylhepta-1,6-dien-4-amine
CID 15310873
(2R)-2-amino-2-benzyl-4-methylpentanamide
CID 66678418
(E,3S)-3-amino-3-benzylhept-5-en-2-one
CID 90145324
3-benzyl-3-ethenylhex-5-en-2-one
CID 101401737
2-amino-2-benzylhexanamide
CID 174812463
2-amino-2-benzylbut-3-enoic acid
CID 10976314
(2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid
CID 91046027
(2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid
CID 62705603
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
ethyl (2S)-2-acetyl-2-benzylpent-4-enoate
CID 134961684
(2R)-2-amino-2-(sulfanylmethyl)pent-4-enamide
CID 87585546

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-benzylpent-4-enamide?
The IUPAC name of (2R)-2-amino-2-benzylpent-4-enamide (CID 135080853) is (2R)-2-amino-2-benzylpent-4-enamide.
What is the SMILES notation for (2R)-2-amino-2-benzylpent-4-enamide?
The canonical SMILES for (2R)-2-amino-2-benzylpent-4-enamide is C=CC[C@@](N)(Cc1ccccc1)C(N)=O.
What is the InChIKey of (2R)-2-amino-2-benzylpent-4-enamide?
The InChIKey is RBKGHHJYVHUWSS-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-8-12(14,11(13)15)9-10-6-4-3-5-7-10/h2-7H,1,8-9,14H2,(H2,13,15)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-2-benzylpent-4-enamide?
(2R)-2-amino-2-benzylpent-4-enamide has a molecular weight of 204.27 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-benzylpent-4-enamide is sourced from PubChem (CID 135080853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).