4-amino-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpentanamide

C9H20N2O2 — CID 107219055

IUPAC4-amino-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpentanamide
SMILESC[C@@H](CO)NC(=O)CCC(C)(C)N
InChIInChI=1S/C9H20N2O2/c1-7(6-12)11-8(13)4-5-9(2,3)10/h7,12H,4-6,10H2,1-3H3,(H,11,13)/t7-/m0/s1
InChIKeyNHXJILRLTMGEDB-ZETCQYMHSA-N
MW188.27 g/mol
LogP0.00
Rot. Bonds5

About 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpentanamide

4-amino-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpentanamide (PubChem CID 107219055) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpentanamide
PubChem CID107219055
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name4-amino-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpentanamide
SMILESC[C@@H](CO)NC(=O)CCC(C)(C)N
InChIInChI=1S/C9H20N2O2/c1-7(6-12)11-8(13)4-5-9(2,3)10/h7,12H,4-6,10H2,1-3H3,(H,11,13)/t7-/m0/s1
InChIKeyNHXJILRLTMGEDB-ZETCQYMHSA-N
XLogP0.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide
CID 115740492
(2R)-2-[(4-amino-4-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 80751277
6-[(4-amino-4-methylpentanoyl)amino]-2-methylheptanoic acid
CID 65286229
3-amino-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 93083457
4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide
CID 103810722
4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoic acid
CID 107214433
2-amino-N-[(2S)-1-hydroxypropan-2-yl]acetamide
CID 93083458
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide
CID 107218704
2-(tert-butylamino)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 107218468
ethyl 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoate
CID 79030775
4-amino-4-methyl-N-(2-methylpropoxy)pentanamide
CID 82723032
4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
CID 81409083

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpentanamide?
The IUPAC name of 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpentanamide (CID 107219055) is 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpentanamide.
What is the SMILES notation for 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpentanamide?
The canonical SMILES for 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpentanamide is C[C@@H](CO)NC(=O)CCC(C)(C)N.
What is the InChIKey of 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpentanamide?
The InChIKey is NHXJILRLTMGEDB-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(6-12)11-8(13)4-5-9(2,3)10/h7,12H,4-6,10H2,1-3H3,(H,11,13)/t7-/m0/s1.
What are the key properties of 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpentanamide?
4-amino-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpentanamide has a molecular weight of 188.27 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 107219055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).