(2S)-N,N-dimethyl-2-(prop-2-enoylamino)propanamide

C8H14N2O2 — CID 21308395

IUPAC(2S)-N,N-dimethyl-2-(prop-2-enoylamino)propanamide
SMILESC=CC(=O)N[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C8H14N2O2/c1-5-7(11)9-6(2)8(12)10(3)4/h5-6H,1H2,2-4H3,(H,9,11)/t6-/m0/s1
InChIKeyQQGPMFWAKUZFBM-LURJTMIESA-N
MW170.21 g/mol
LogP-0.23
Rot. Bonds3

About (2S)-N,N-dimethyl-2-(prop-2-enoylamino)propanamide

(2S)-N,N-dimethyl-2-(prop-2-enoylamino)propanamide (PubChem CID 21308395) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-(prop-2-enoylamino)propanamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-(prop-2-enoylamino)propanamide
PubChem CID21308395
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(2S)-N,N-dimethyl-2-(prop-2-enoylamino)propanamide
SMILESC=CC(=O)N[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C8H14N2O2/c1-5-7(11)9-6(2)8(12)10(3)4/h5-6H,1H2,2-4H3,(H,9,11)/t6-/m0/s1
InChIKeyQQGPMFWAKUZFBM-LURJTMIESA-N
XLogP-0.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-(prop-2-enoylamino)propanamide?
The IUPAC name of (2S)-N,N-dimethyl-2-(prop-2-enoylamino)propanamide (CID 21308395) is (2S)-N,N-dimethyl-2-(prop-2-enoylamino)propanamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-(prop-2-enoylamino)propanamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-(prop-2-enoylamino)propanamide is C=CC(=O)N[C@@H](C)C(=O)N(C)C.
What is the InChIKey of (2S)-N,N-dimethyl-2-(prop-2-enoylamino)propanamide?
The InChIKey is QQGPMFWAKUZFBM-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O2/c1-5-7(11)9-6(2)8(12)10(3)4/h5-6H,1H2,2-4H3,(H,9,11)/t6-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-(prop-2-enoylamino)propanamide?
(2S)-N,N-dimethyl-2-(prop-2-enoylamino)propanamide has a molecular weight of 170.21 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-(prop-2-enoylamino)propanamide is sourced from PubChem (CID 21308395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).