(2S)-4-amino-2-hydroxy-N,N-di(propan-2-yl)butanamide

C10H22N2O2 — CID 59904511

IUPAC(2S)-4-amino-2-hydroxy-N,N-di(propan-2-yl)butanamide
SMILESCC(C)N(C(=O)[C@@H](O)CCN)C(C)C
InChIInChI=1S/C10H22N2O2/c1-7(2)12(8(3)4)10(14)9(13)5-6-11/h7-9,13H,5-6,11H2,1-4H3/t9-/m0/s1
InChIKeySHBATNWMPXNKHC-VIFPVBQESA-N
MW202.30 g/mol
LogP0.34
Rot. Bonds5

About (2S)-4-amino-2-hydroxy-N,N-di(propan-2-yl)butanamide

(2S)-4-amino-2-hydroxy-N,N-di(propan-2-yl)butanamide (PubChem CID 59904511) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2S)-4-amino-2-hydroxy-N,N-di(propan-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-4-amino-2-hydroxy-N,N-di(propan-2-yl)butanamide
PubChem CID59904511
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(2S)-4-amino-2-hydroxy-N,N-di(propan-2-yl)butanamide
SMILESCC(C)N(C(=O)[C@@H](O)CCN)C(C)C
InChIInChI=1S/C10H22N2O2/c1-7(2)12(8(3)4)10(14)9(13)5-6-11/h7-9,13H,5-6,11H2,1-4H3/t9-/m0/s1
InChIKeySHBATNWMPXNKHC-VIFPVBQESA-N
XLogP0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Pyrrolidineacetamide, N-(2-(bis(1-methylethyl)amino)ethyl-3-hydroxy-2-oxo-, (+-)-
CID 3069836
(2R,3R)-2,3-dihydroxy-N,N'-di(propan-2-yl)butanediamide
CID 10177016
(2S,3S)-2,3-dihydroxy-N,N'-di(propan-2-yl)butanediamide
CID 13215104
4-amino-3,3-difluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide
CID 123231332
4-amino-3-fluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide
CID 123716398
2-(3-Hydroxy-2-oxopyrrolidin-1-yl)butanamide
CID 54398539
Lactamide, N-(3-(dibutylamino)propyl)-
CID 3030790
Lactamide, N-(4-(diethylamino)butyl)-
CID 3030791
2-hydroxy-N,N'-dipentylbutanediamide
CID 268195
2-Hydroxy-N,N-di(propan-2-yl)butanamide
CID 71365964
1-[2-Hydroxy-3-(propan-2-ylamino)propyl]pyrrolidin-2-one
CID 3075725
N,N'-Di-iso-butyl DL-malamide
CID 13009116

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-hydroxy-N,N-di(propan-2-yl)butanamide?
The IUPAC name of (2S)-4-amino-2-hydroxy-N,N-di(propan-2-yl)butanamide (CID 59904511) is (2S)-4-amino-2-hydroxy-N,N-di(propan-2-yl)butanamide.
What is the SMILES notation for (2S)-4-amino-2-hydroxy-N,N-di(propan-2-yl)butanamide?
The canonical SMILES for (2S)-4-amino-2-hydroxy-N,N-di(propan-2-yl)butanamide is CC(C)N(C(=O)[C@@H](O)CCN)C(C)C.
What is the InChIKey of (2S)-4-amino-2-hydroxy-N,N-di(propan-2-yl)butanamide?
The InChIKey is SHBATNWMPXNKHC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22N2O2/c1-7(2)12(8(3)4)10(14)9(13)5-6-11/h7-9,13H,5-6,11H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-4-amino-2-hydroxy-N,N-di(propan-2-yl)butanamide?
(2S)-4-amino-2-hydroxy-N,N-di(propan-2-yl)butanamide has a molecular weight of 202.30 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-hydroxy-N,N-di(propan-2-yl)butanamide is sourced from PubChem (CID 59904511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).