(2R)-2-amino-N-(2-cyanopropyl)propanamide

C7H13N3O — CID 78991396

IUPAC(2R)-2-amino-N-(2-cyanopropyl)propanamide
SMILESCC(C#N)CNC(=O)[C@@H](C)N
InChIInChI=1S/C7H13N3O/c1-5(3-8)4-10-7(11)6(2)9/h5-6H,4,9H2,1-2H3,(H,10,11)/t5?,6-/m1/s1
InChIKeyNCEFUQJCRCTMNZ-PRJDIBJQSA-N
MW155.20 g/mol
LogP-0.39
Rot. Bonds3

About (2R)-2-amino-N-(2-cyanopropyl)propanamide

(2R)-2-amino-N-(2-cyanopropyl)propanamide (PubChem CID 78991396) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-cyanopropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-cyanopropyl)propanamide
PubChem CID78991396
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(2R)-2-amino-N-(2-cyanopropyl)propanamide
SMILESCC(C#N)CNC(=O)[C@@H](C)N
InChIInChI=1S/C7H13N3O/c1-5(3-8)4-10-7(11)6(2)9/h5-6H,4,9H2,1-2H3,(H,10,11)/t5?,6-/m1/s1
InChIKeyNCEFUQJCRCTMNZ-PRJDIBJQSA-N
XLogP-0.39
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-cyanopropyl)butanamide
CID 79023306
3-(2-cyanopropylamino)-2-methyl-3-oxopropanoic acid
CID 114898360
N-(2-cyanopropyl)-2-propylpentanamide
CID 115532839
3-(2-cyanopropyl)-1,1-dimethylurea
CID 78954145
2-amino-N-(3-cyanopropyl)propanamide
CID 62666254
(2S)-2-amino-N-(2-methylbutyl)propanamide
CID 59620908
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
3-amino-N-(2-cyanopropyl)-2,2,3-trimethylbutanamide
CID 65266802
(2S)-2-amino-N-(2-hydroxybutyl)propanamide
CID 104866791
(2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide
CID 78973572
2-amino-N-(2-cyanopropyl)-2-methylbutanamide
CID 79811894
N-(2-cyanopropyl)but-2-enamide
CID 78997190

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-cyanopropyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(2-cyanopropyl)propanamide (CID 78991396) is (2R)-2-amino-N-(2-cyanopropyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-cyanopropyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(2-cyanopropyl)propanamide is CC(C#N)CNC(=O)[C@@H](C)N.
What is the InChIKey of (2R)-2-amino-N-(2-cyanopropyl)propanamide?
The InChIKey is NCEFUQJCRCTMNZ-PRJDIBJQSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5(3-8)4-10-7(11)6(2)9/h5-6H,4,9H2,1-2H3,(H,10,11)/t5?,6-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-cyanopropyl)propanamide?
(2R)-2-amino-N-(2-cyanopropyl)propanamide has a molecular weight of 155.20 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-cyanopropyl)propanamide is sourced from PubChem (CID 78991396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).