(2R)-N,N-dimethyl-2-[[(2R)-2-(methylideneamino)propanoyl]amino]propanamide

C9H17N3O2 — CID 144589820

IUPAC(2R)-N,N-dimethyl-2-[[(2R)-2-(methylideneamino)propanoyl]amino]propanamide
SMILESC=N[C@H](C)C(=O)N[C@H](C)C(=O)N(C)C
InChIInChI=1S/C9H17N3O2/c1-6(10-3)8(13)11-7(2)9(14)12(4)5/h6-7H,3H2,1-2,4-5H3,(H,11,13)/t6-,7-/m1/s1
InChIKeyGIRFVCMNXLPWRC-RNFRBKRXSA-N
MW199.25 g/mol
LogP-0.33
Rot. Bonds4

About (2R)-N,N-dimethyl-2-[[(2R)-2-(methylideneamino)propanoyl]amino]propanamide

(2R)-N,N-dimethyl-2-[[(2R)-2-(methylideneamino)propanoyl]amino]propanamide (PubChem CID 144589820) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-[[(2R)-2-(methylideneamino)propanoyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-[[(2R)-2-(methylideneamino)propanoyl]amino]propanamide
PubChem CID144589820
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name(2R)-N,N-dimethyl-2-[[(2R)-2-(methylideneamino)propanoyl]amino]propanamide
SMILESC=N[C@H](C)C(=O)N[C@H](C)C(=O)N(C)C
InChIInChI=1S/C9H17N3O2/c1-6(10-3)8(13)11-7(2)9(14)12(4)5/h6-7H,3H2,1-2,4-5H3,(H,11,13)/t6-,7-/m1/s1
InChIKeyGIRFVCMNXLPWRC-RNFRBKRXSA-N
XLogP-0.33
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-2-[[(2R)-2-(methylideneamino)propanoyl]amino]propanamide?
The IUPAC name of (2R)-N,N-dimethyl-2-[[(2R)-2-(methylideneamino)propanoyl]amino]propanamide (CID 144589820) is (2R)-N,N-dimethyl-2-[[(2R)-2-(methylideneamino)propanoyl]amino]propanamide.
What is the SMILES notation for (2R)-N,N-dimethyl-2-[[(2R)-2-(methylideneamino)propanoyl]amino]propanamide?
The canonical SMILES for (2R)-N,N-dimethyl-2-[[(2R)-2-(methylideneamino)propanoyl]amino]propanamide is C=N[C@H](C)C(=O)N[C@H](C)C(=O)N(C)C.
What is the InChIKey of (2R)-N,N-dimethyl-2-[[(2R)-2-(methylideneamino)propanoyl]amino]propanamide?
The InChIKey is GIRFVCMNXLPWRC-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-6(10-3)8(13)11-7(2)9(14)12(4)5/h6-7H,3H2,1-2,4-5H3,(H,11,13)/t6-,7-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-2-[[(2R)-2-(methylideneamino)propanoyl]amino]propanamide?
(2R)-N,N-dimethyl-2-[[(2R)-2-(methylideneamino)propanoyl]amino]propanamide has a molecular weight of 199.25 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-[[(2R)-2-(methylideneamino)propanoyl]amino]propanamide is sourced from PubChem (CID 144589820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).