2-amino-4-hydroxy-3,3-dimethyl-N-(3-oxopentyl)butanamide

C11H22N2O3 — CID 144594706

IUPAC2-amino-4-hydroxy-3,3-dimethyl-N-(3-oxopentyl)butanamide
SMILESCCC(=O)CCNC(=O)C(N)C(C)(C)CO
InChIInChI=1S/C11H22N2O3/c1-4-8(15)5-6-13-10(16)9(12)11(2,3)7-14/h9,14H,4-7,12H2,1-3H3,(H,13,16)
InChIKeyFAUNXTQRELELSL-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.18
Rot. Bonds7

About 2-amino-4-hydroxy-3,3-dimethyl-N-(3-oxopentyl)butanamide

2-amino-4-hydroxy-3,3-dimethyl-N-(3-oxopentyl)butanamide (PubChem CID 144594706) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-amino-4-hydroxy-3,3-dimethyl-N-(3-oxopentyl)butanamide.

Molecular Properties

Compound Name2-amino-4-hydroxy-3,3-dimethyl-N-(3-oxopentyl)butanamide
PubChem CID144594706
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-amino-4-hydroxy-3,3-dimethyl-N-(3-oxopentyl)butanamide
SMILESCCC(=O)CCNC(=O)C(N)C(C)(C)CO
InChIInChI=1S/C11H22N2O3/c1-4-8(15)5-6-13-10(16)9(12)11(2,3)7-14/h9,14H,4-7,12H2,1-3H3,(H,13,16)
InChIKeyFAUNXTQRELELSL-UHFFFAOYSA-N
XLogP-0.18
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxopentylurea
CID 19425945
(2S)-N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 59125211
3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoyl 3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate
CID 154385083
3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](1,2,3-13C3)propanoic acid
CID 170898855
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](313C)propanoic acid
CID 101257666
(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethylbutanamide
CID 115360318
2-amino-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 76927682
calcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate;methanolate
CID 163216955
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 25171583
N-[3-(aminomethylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 145046694
dicalcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoyl 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate;hydride
CID 173070282
3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane
CID 174763260

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxy-3,3-dimethyl-N-(3-oxopentyl)butanamide?
The IUPAC name of 2-amino-4-hydroxy-3,3-dimethyl-N-(3-oxopentyl)butanamide (CID 144594706) is 2-amino-4-hydroxy-3,3-dimethyl-N-(3-oxopentyl)butanamide.
What is the SMILES notation for 2-amino-4-hydroxy-3,3-dimethyl-N-(3-oxopentyl)butanamide?
The canonical SMILES for 2-amino-4-hydroxy-3,3-dimethyl-N-(3-oxopentyl)butanamide is CCC(=O)CCNC(=O)C(N)C(C)(C)CO.
What is the InChIKey of 2-amino-4-hydroxy-3,3-dimethyl-N-(3-oxopentyl)butanamide?
The InChIKey is FAUNXTQRELELSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-8(15)5-6-13-10(16)9(12)11(2,3)7-14/h9,14H,4-7,12H2,1-3H3,(H,13,16).
What are the key properties of 2-amino-4-hydroxy-3,3-dimethyl-N-(3-oxopentyl)butanamide?
2-amino-4-hydroxy-3,3-dimethyl-N-(3-oxopentyl)butanamide has a molecular weight of 230.31 g/mol, XLogP of -0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxy-3,3-dimethyl-N-(3-oxopentyl)butanamide is sourced from PubChem (CID 144594706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).