(2R)-2-amino-N-(2-cyanoethyl)-N-ethyl-3-methylbutanamide

C10H19N3O — CID 79012369

IUPAC(2R)-2-amino-N-(2-cyanoethyl)-N-ethyl-3-methylbutanamide
SMILESCCN(CCC#N)C(=O)[C@H](N)C(C)C
InChIInChI=1S/C10H19N3O/c1-4-13(7-5-6-11)10(14)9(12)8(2)3/h8-9H,4-5,7,12H2,1-3H3/t9-/m1/s1
InChIKeyIXDNOLORVDBBMY-SECBINFHSA-N
MW197.28 g/mol
LogP0.73
Rot. Bonds5

About (2R)-2-amino-N-(2-cyanoethyl)-N-ethyl-3-methylbutanamide

(2R)-2-amino-N-(2-cyanoethyl)-N-ethyl-3-methylbutanamide (PubChem CID 79012369) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-cyanoethyl)-N-ethyl-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-cyanoethyl)-N-ethyl-3-methylbutanamide
PubChem CID79012369
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(2R)-2-amino-N-(2-cyanoethyl)-N-ethyl-3-methylbutanamide
SMILESCCN(CCC#N)C(=O)[C@H](N)C(C)C
InChIInChI=1S/C10H19N3O/c1-4-13(7-5-6-11)10(14)9(12)8(2)3/h8-9H,4-5,7,12H2,1-3H3/t9-/m1/s1
InChIKeyIXDNOLORVDBBMY-SECBINFHSA-N
XLogP0.73
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-cyanoethyl)-N-ethylpropanamide
CID 61148414
(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 61162671
(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide
CID 61174632
(2S)-2-amino-N-ethyl-N-(2-methoxyethyl)-3-methylbutanamide
CID 61447181
N-(2-cyanoethyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309842
(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylbutanamide
CID 79013546
(2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide
CID 93376202
2-cyanoethyl(ethyl)carbamic acid
CID 18786016
(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
CID 22690786
(2R)-N-(2-cyanoethyl)-N-ethyl-3-methyl-2-phenylbutanamide
CID 97329844
N,N-bis(2-cyanoethyl)-2-methylbutanamide
CID 4627836
(2R)-2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 78973558

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-cyanoethyl)-N-ethyl-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-cyanoethyl)-N-ethyl-3-methylbutanamide (CID 79012369) is (2R)-2-amino-N-(2-cyanoethyl)-N-ethyl-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-cyanoethyl)-N-ethyl-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-cyanoethyl)-N-ethyl-3-methylbutanamide is CCN(CCC#N)C(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-N-(2-cyanoethyl)-N-ethyl-3-methylbutanamide?
The InChIKey is IXDNOLORVDBBMY-SECBINFHSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-13(7-5-6-11)10(14)9(12)8(2)3/h8-9H,4-5,7,12H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-cyanoethyl)-N-ethyl-3-methylbutanamide?
(2R)-2-amino-N-(2-cyanoethyl)-N-ethyl-3-methylbutanamide has a molecular weight of 197.28 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-cyanoethyl)-N-ethyl-3-methylbutanamide is sourced from PubChem (CID 79012369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).