4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide

C8H17N3O3 — CID 106175744

IUPAC4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide
SMILESCC(CN)CC(=O)NCC(O)C(N)=O
InChIInChI=1S/C8H17N3O3/c1-5(3-9)2-7(13)11-4-6(12)8(10)14/h5-6,12H,2-4,9H2,1H3,(H2,10,14)(H,11,13)
InChIKeyOJVFXEKYRXVMCD-UHFFFAOYSA-N
MW203.24 g/mol
LogP-2.07
Rot. Bonds6

About 4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide

4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide (PubChem CID 106175744) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide
PubChem CID106175744
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide
SMILESCC(CN)CC(=O)NCC(O)C(N)=O
InChIInChI=1S/C8H17N3O3/c1-5(3-9)2-7(13)11-4-6(12)8(10)14/h5-6,12H,2-4,9H2,1H3,(H2,10,14)(H,11,13)
InChIKeyOJVFXEKYRXVMCD-UHFFFAOYSA-N
XLogP-2.07
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-2.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid
CID 81080321
4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
CID 107221231
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxy-3-methylbutanamide
CID 106164776
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide
CID 107261286
4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide
CID 81079644
N-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride
CID 119998014
N-(3-amino-2-methylpropyl)-3,5-dimethylhexanamide;hydrochloride
CID 119995769
4-amino-3-methyl-N-prop-2-ynylbutanamide
CID 81070639
2-hydroxy-3-[(2-methylsulfanylacetyl)amino]propanamide
CID 106164287
N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide
CID 106173492
2-amino-N-(3-amino-2-methylpropyl)acetamide
CID 130703152
4-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
CID 81080200

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide?
The IUPAC name of 4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide (CID 106175744) is 4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide is CC(CN)CC(=O)NCC(O)C(N)=O.
What is the InChIKey of 4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide?
The InChIKey is OJVFXEKYRXVMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-5(3-9)2-7(13)11-4-6(12)8(10)14/h5-6,12H,2-4,9H2,1H3,(H2,10,14)(H,11,13).
What are the key properties of 4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide?
4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide has a molecular weight of 203.24 g/mol, XLogP of -2.07, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide is sourced from PubChem (CID 106175744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).