4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methoxybutanamide

C9H19N3O3 — CID 103155472

IUPAC4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC(C)(C)C(N)=O
InChIInChI=1S/C9H19N3O3/c1-9(2,8(11)14)12-7(13)4-6(5-10)15-3/h6H,4-5,10H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyDNFHGTRWYOYVTA-UHFFFAOYSA-N
MW217.27 g/mol
LogP-1.27
Rot. Bonds6

About 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methoxybutanamide

4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methoxybutanamide (PubChem CID 103155472) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methoxybutanamide
PubChem CID103155472
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC(C)(C)C(N)=O
InChIInChI=1S/C9H19N3O3/c1-9(2,8(11)14)12-7(13)4-6(5-10)15-3/h6H,4-5,10H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyDNFHGTRWYOYVTA-UHFFFAOYSA-N
XLogP-1.27
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide
CID 106096401
methyl 2-[(4-amino-3-methoxybutanoyl)amino]-2-methylpentanoate;hydrochloride
CID 120589059
(2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103156564
4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
4-amino-3-methoxy-N-(3-methylbutan-2-yl)butanamide
CID 103154290
4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide
CID 106247351
tert-butyl 4-amino-3-methoxybutanoate
CID 102921115
methyl N,N-bis[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]carbamate
CID 123190583
2-[(4-amino-3-methoxybutanoyl)amino]oxyacetic acid
CID 103156723
4-amino-3-methoxy-N-(2,2,6-trimethylheptan-3-yl)butanamide;hydrochloride
CID 120592370
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide
CID 106247589
4-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-methoxybutanamide
CID 120592868

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methoxybutanamide (CID 103155472) is 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methoxybutanamide is COC(CN)CC(=O)NC(C)(C)C(N)=O.
What is the InChIKey of 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methoxybutanamide?
The InChIKey is DNFHGTRWYOYVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-9(2,8(11)14)12-7(13)4-6(5-10)15-3/h6H,4-5,10H2,1-3H3,(H2,11,14)(H,12,13).
What are the key properties of 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methoxybutanamide?
4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methoxybutanamide has a molecular weight of 217.27 g/mol, XLogP of -1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methoxybutanamide is sourced from PubChem (CID 103155472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).