N-[(2S)-2-aminopropanoyl]-2-methylprop-2-enamide

C7H12N2O2 — CID 20633703

IUPACN-[(2S)-2-aminopropanoyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(=O)[C@H](C)N
InChIInChI=1S/C7H12N2O2/c1-4(2)6(10)9-7(11)5(3)8/h5H,1,8H2,2-3H3,(H,9,10,11)/t5-/m0/s1
InChIKeyXFYKEDAVOKGAIO-YFKPBYRVSA-N
MW156.18 g/mol
LogP-0.45
Rot. Bonds2

About N-[(2S)-2-aminopropanoyl]-2-methylprop-2-enamide

N-[(2S)-2-aminopropanoyl]-2-methylprop-2-enamide (PubChem CID 20633703) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is N-[(2S)-2-aminopropanoyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[(2S)-2-aminopropanoyl]-2-methylprop-2-enamide
PubChem CID20633703
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC NameN-[(2S)-2-aminopropanoyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(=O)[C@H](C)N
InChIInChI=1S/C7H12N2O2/c1-4(2)6(10)9-7(11)5(3)8/h5H,1,8H2,2-3H3,(H,9,10,11)/t5-/m0/s1
InChIKeyXFYKEDAVOKGAIO-YFKPBYRVSA-N
XLogP-0.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N'-(2-aminopropanoyl)-2-methylprop-2-enehydrazide
CID 175440169
2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide
CID 14817903
N-(1-hydroxyethenyl)-2-methylprop-2-enamide
CID 174577557
N-ethanethioyl-2-methylprop-2-enamide
CID 89169552
2-methyl-N-[(2R,3S)-3-(2-methylprop-2-enoylamino)butan-2-yl]prop-2-enamide
CID 167017883
2-methyl-N-[N-(2-methylprop-2-enoyl)carbamimidoyl]prop-2-enamide
CID 154307260
2-amino-N-(2-methylprop-2-enoxy)propanamide
CID 131226983
2,3-dimethyl-N-(2-methylprop-2-enoyl)but-2-enamide
CID 175801770
acetic acid;2-amino-N-methylpropanamide
CID 71335706
(2R)-2-aminopropanoic acid;2-methylprop-2-enamide
CID 175865115
1-methoxyethyl N-(2-methylprop-2-enoyl)carbamate
CID 18965589
N-(2-methylprop-2-enoyl)-4-propan-2-yloxybut-2-enamide
CID 139892330

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-aminopropanoyl]-2-methylprop-2-enamide?
The IUPAC name of N-[(2S)-2-aminopropanoyl]-2-methylprop-2-enamide (CID 20633703) is N-[(2S)-2-aminopropanoyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[(2S)-2-aminopropanoyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[(2S)-2-aminopropanoyl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(=O)[C@H](C)N.
What is the InChIKey of N-[(2S)-2-aminopropanoyl]-2-methylprop-2-enamide?
The InChIKey is XFYKEDAVOKGAIO-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-4(2)6(10)9-7(11)5(3)8/h5H,1,8H2,2-3H3,(H,9,10,11)/t5-/m0/s1.
What are the key properties of N-[(2S)-2-aminopropanoyl]-2-methylprop-2-enamide?
N-[(2S)-2-aminopropanoyl]-2-methylprop-2-enamide has a molecular weight of 156.18 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-aminopropanoyl]-2-methylprop-2-enamide is sourced from PubChem (CID 20633703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).