(2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide

C10H22N2O3 — CID 58124579

IUPAC(2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCC(CO)CO
InChIInChI=1S/C10H22N2O3/c1-10(2,3)8(11)9(15)12-4-7(5-13)6-14/h7-8,13-14H,4-6,11H2,1-3H3,(H,12,15)/t8-/m1/s1
InChIKeyODNNAYZYPSRAQK-MRVPVSSYSA-N
MW218.30 g/mol
LogP-0.92
Rot. Bonds5

About (2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide (PubChem CID 58124579) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide
PubChem CID58124579
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name(2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCC(CO)CO
InChIInChI=1S/C10H22N2O3/c1-10(2,3)8(11)9(15)12-4-7(5-13)6-14/h7-8,13-14H,4-6,11H2,1-3H3,(H,12,15)/t8-/m1/s1
InChIKeyODNNAYZYPSRAQK-MRVPVSSYSA-N
XLogP-0.92
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide
CID 115750981
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
(2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide
CID 106116615
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride
CID 119817764
(2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 64598491
(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethylbutanamide
CID 115360318
(2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide
CID 104865583
2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
CID 103827723
(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide
CID 122080430
N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
CID 76893602
(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 103808439
(2R)-2-amino-N-(2,3-dihydroxy-2-methylpropyl)-3,3-dimethylbutanamide
CID 103930127

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide (CID 58124579) is (2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide is CC(C)(C)[C@H](N)C(=O)NCC(CO)CO.
What is the InChIKey of (2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide?
The InChIKey is ODNNAYZYPSRAQK-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-10(2,3)8(11)9(15)12-4-7(5-13)6-14/h7-8,13-14H,4-6,11H2,1-3H3,(H,12,15)/t8-/m1/s1.
What are the key properties of (2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide has a molecular weight of 218.30 g/mol, XLogP of -0.92, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 58124579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).