(2S)-2-amino-3-(3-methanehydrazonoylphenyl)-N-methyl-N-propanoylpropanamide

C14H20N4O2 — CID 139965535

IUPAC(2S)-2-amino-3-(3-methanehydrazonoylphenyl)-N-methyl-N-propanoylpropanamide
SMILESCCC(=O)N(C)C(=O)[C@@H](N)Cc1cccc(C=NN)c1
InChIInChI=1S/C14H20N4O2/c1-3-13(19)18(2)14(20)12(15)8-10-5-4-6-11(7-10)9-17-16/h4-7,9,12H,3,8,15-16H2,1-2H3/t12-/m0/s1
InChIKeyAYMCSOBFFNDGNV-LBPRGKRZSA-N
MW276.34 g/mol
LogP0.24
Rot. Bonds5

About (2S)-2-amino-3-(3-methanehydrazonoylphenyl)-N-methyl-N-propanoylpropanamide

(2S)-2-amino-3-(3-methanehydrazonoylphenyl)-N-methyl-N-propanoylpropanamide (PubChem CID 139965535) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-methanehydrazonoylphenyl)-N-methyl-N-propanoylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-methanehydrazonoylphenyl)-N-methyl-N-propanoylpropanamide
PubChem CID139965535
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name(2S)-2-amino-3-(3-methanehydrazonoylphenyl)-N-methyl-N-propanoylpropanamide
SMILESCCC(=O)N(C)C(=O)[C@@H](N)Cc1cccc(C=NN)c1
InChIInChI=1S/C14H20N4O2/c1-3-13(19)18(2)14(20)12(15)8-10-5-4-6-11(7-10)9-17-16/h4-7,9,12H,3,8,15-16H2,1-2H3/t12-/m0/s1
InChIKeyAYMCSOBFFNDGNV-LBPRGKRZSA-N
XLogP0.24
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl(methyl)amino]-3-[3-[(Z)-hydrazinylidenemethyl]phenyl]propanamide;2,2,2-trifluoroacetic acid
CID 87951505
1-(3-methanehydrazonoylphenyl)-N,N-dimethylmethanamine
CID 168530014
(2S)-2-amino-N-[4-(2-cyanophenyl)phenyl]-3-(3-methanehydrazonoylphenyl)-N-propylsulfonylpropanamide
CID 139965552
methyl (2S)-2-amino-3-(3-formylphenyl)propanoate
CID 123194061
2-amino-3-(3-bromophenyl)-N,N-dimethylpropanamide
CID 116850260
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
CID 92959953
(2S)-2-amino-3-(3-undec-1-enylphenyl)propanoic acid
CID 141454583
(3-formylphenyl)methyl propanoate
CID 121217637
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
CID 54017853
(2R)-2-amino-N-ethyl-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 50984163

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-methanehydrazonoylphenyl)-N-methyl-N-propanoylpropanamide?
The IUPAC name of (2S)-2-amino-3-(3-methanehydrazonoylphenyl)-N-methyl-N-propanoylpropanamide (CID 139965535) is (2S)-2-amino-3-(3-methanehydrazonoylphenyl)-N-methyl-N-propanoylpropanamide.
What is the SMILES notation for (2S)-2-amino-3-(3-methanehydrazonoylphenyl)-N-methyl-N-propanoylpropanamide?
The canonical SMILES for (2S)-2-amino-3-(3-methanehydrazonoylphenyl)-N-methyl-N-propanoylpropanamide is CCC(=O)N(C)C(=O)[C@@H](N)Cc1cccc(C=NN)c1.
What is the InChIKey of (2S)-2-amino-3-(3-methanehydrazonoylphenyl)-N-methyl-N-propanoylpropanamide?
The InChIKey is AYMCSOBFFNDGNV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-13(19)18(2)14(20)12(15)8-10-5-4-6-11(7-10)9-17-16/h4-7,9,12H,3,8,15-16H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3-methanehydrazonoylphenyl)-N-methyl-N-propanoylpropanamide?
(2S)-2-amino-3-(3-methanehydrazonoylphenyl)-N-methyl-N-propanoylpropanamide has a molecular weight of 276.34 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-methanehydrazonoylphenyl)-N-methyl-N-propanoylpropanamide is sourced from PubChem (CID 139965535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).