2-amino-N-(1-cyanopropan-2-yl)-4-methoxybutanamide

C9H17N3O2 — CID 62475778

IUPAC2-amino-N-(1-cyanopropan-2-yl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NC(C)CC#N
InChIInChI=1S/C9H17N3O2/c1-7(3-5-10)12-9(13)8(11)4-6-14-2/h7-8H,3-4,6,11H2,1-2H3,(H,12,13)
InChIKeyFISMCWNEXWKVPJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.23
Rot. Bonds6

About 2-amino-N-(1-cyanopropan-2-yl)-4-methoxybutanamide

2-amino-N-(1-cyanopropan-2-yl)-4-methoxybutanamide (PubChem CID 62475778) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-amino-N-(1-cyanopropan-2-yl)-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-(1-cyanopropan-2-yl)-4-methoxybutanamide
PubChem CID62475778
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-amino-N-(1-cyanopropan-2-yl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NC(C)CC#N
InChIInChI=1S/C9H17N3O2/c1-7(3-5-10)12-9(13)8(11)4-6-14-2/h7-8H,3-4,6,11H2,1-2H3,(H,12,13)
InChIKeyFISMCWNEXWKVPJ-UHFFFAOYSA-N
XLogP-0.23
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybutanamide
CID 82945682
(2S)-2-amino-N-(1-cyanopropan-2-yl)propanamide
CID 62093737
2-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)butanamide
CID 65049176
(2S)-2-amino-N-(4-methoxybutan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119313160
2-amino-N-(cyanomethyl)-5-methoxypentanamide
CID 81089065
2-amino-4-methoxy-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide
CID 113407134
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide
CID 63008409
2-amino-3-methoxy-N-(1-methoxypropan-2-yl)propanamide
CID 81082109
2-amino-4-methoxy-N-(2-methylpropyl)butanamide
CID 62474242
N-(1-cyanopropan-2-yl)-2-methylpentanamide
CID 62094798
N-(4-methoxybutan-2-yl)-2-methylpropanamide
CID 62613401
2-[(2-amino-4-methoxybutanoyl)amino]-3-hydroxypropanoic acid
CID 62475206

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyanopropan-2-yl)-4-methoxybutanamide?
The IUPAC name of 2-amino-N-(1-cyanopropan-2-yl)-4-methoxybutanamide (CID 62475778) is 2-amino-N-(1-cyanopropan-2-yl)-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-(1-cyanopropan-2-yl)-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-(1-cyanopropan-2-yl)-4-methoxybutanamide is COCCC(N)C(=O)NC(C)CC#N.
What is the InChIKey of 2-amino-N-(1-cyanopropan-2-yl)-4-methoxybutanamide?
The InChIKey is FISMCWNEXWKVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7(3-5-10)12-9(13)8(11)4-6-14-2/h7-8H,3-4,6,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-N-(1-cyanopropan-2-yl)-4-methoxybutanamide?
2-amino-N-(1-cyanopropan-2-yl)-4-methoxybutanamide has a molecular weight of 199.25 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyanopropan-2-yl)-4-methoxybutanamide is sourced from PubChem (CID 62475778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).