(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide

C8H18N2O2 — CID 115360252

IUPAC(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
SMILESC[C@H](N)C(=O)NCC(C)(C)CO
InChIInChI=1S/C8H18N2O2/c1-6(9)7(12)10-4-8(2,3)5-11/h6,11H,4-5,9H2,1-3H3,(H,10,12)/t6-/m0/s1
InChIKeySEQOZSRRBGVJOY-LURJTMIESA-N
MW174.24 g/mol
LogP-0.53
Rot. Bonds4

About (2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide

(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide (PubChem CID 115360252) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
PubChem CID115360252
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
SMILESC[C@H](N)C(=O)NCC(C)(C)CO
InChIInChI=1S/C8H18N2O2/c1-6(9)7(12)10-4-8(2,3)5-11/h6,11H,4-5,9H2,1-3H3,(H,10,12)/t6-/m0/s1
InChIKeySEQOZSRRBGVJOY-LURJTMIESA-N
XLogP-0.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethylbutanamide
CID 115360318
(2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride
CID 119344448
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
2,2-difluoro-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 103513975
2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-methoxypropanamide
CID 115360310
3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid
CID 115427893
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide
CID 61249640
3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide
CID 103950826
2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide
CID 130551934
2-(azetidin-3-yl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 116678630
(2S)-2-amino-N-(2,2-diethyl-4-hydroxybutyl)propanamide
CID 119343168
2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethyl-4-(methylamino)butanamide
CID 153323894

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide (CID 115360252) is (2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide is C[C@H](N)C(=O)NCC(C)(C)CO.
What is the InChIKey of (2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide?
The InChIKey is SEQOZSRRBGVJOY-LURJTMIESA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(9)7(12)10-4-8(2,3)5-11/h6,11H,4-5,9H2,1-3H3,(H,10,12)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide?
(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide has a molecular weight of 174.24 g/mol, XLogP of -0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide is sourced from PubChem (CID 115360252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).