(2S)-2,4-diamino-N-tert-butylbutanamide

C8H19N3O — CID 164800248

IUPAC(2S)-2,4-diamino-N-tert-butylbutanamide
SMILESCC(C)(C)NC(=O)[C@@H](N)CCN
InChIInChI=1S/C8H19N3O/c1-8(2,3)11-7(12)6(10)4-5-9/h6H,4-5,9-10H2,1-3H3,(H,11,12)/t6-/m0/s1
InChIKeyQVWZNJYNMYLZPN-LURJTMIESA-N
MW173.26 g/mol
LogP-0.42
Rot. Bonds3

About (2S)-2,4-diamino-N-tert-butylbutanamide

(2S)-2,4-diamino-N-tert-butylbutanamide (PubChem CID 164800248) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S)-2,4-diamino-N-tert-butylbutanamide.

Molecular Properties

Compound Name(2S)-2,4-diamino-N-tert-butylbutanamide
PubChem CID164800248
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name(2S)-2,4-diamino-N-tert-butylbutanamide
SMILESCC(C)(C)NC(=O)[C@@H](N)CCN
InChIInChI=1S/C8H19N3O/c1-8(2,3)11-7(12)6(10)4-5-9/h6H,4-5,9-10H2,1-3H3,(H,11,12)/t6-/m0/s1
InChIKeyQVWZNJYNMYLZPN-LURJTMIESA-N
XLogP-0.42
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-tert-butylbutanamide
CID 79025313
(2R)-2-amino-3-[[(2R)-2-amino-3-(tert-butylamino)-3-oxopropyl]disulfanyl]-N-tert-butylpropanamide
CID 142641960
(2S)-2-amino-N-tert-butyl-3-methoxypropanamide
CID 164800240
(4-amino-2-hydroxybutyl) N-tert-butylcarbamate
CID 175489678
(2S)-2-amino-N-(3-methylpentan-3-yl)pentanamide
CID 106328652
(2R)-2-amino-N-(2-methylbutan-2-yl)pentanamide
CID 103793847
(2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide
CID 164800238
methyl (2R)-2,4-diaminobutanoate;dihydrochloride
CID 155920841
2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide
CID 106188088
2-amino-N-(3-methylpentan-3-yl)pentanamide;hydrochloride
CID 119324973
2-(3-aminopropylamino)-N-tert-butylpropanamide
CID 62274878
2-amino-N-(2,4-dimethylpentan-2-yl)pentanamide
CID 135224025

Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-diamino-N-tert-butylbutanamide?
The IUPAC name of (2S)-2,4-diamino-N-tert-butylbutanamide (CID 164800248) is (2S)-2,4-diamino-N-tert-butylbutanamide.
What is the SMILES notation for (2S)-2,4-diamino-N-tert-butylbutanamide?
The canonical SMILES for (2S)-2,4-diamino-N-tert-butylbutanamide is CC(C)(C)NC(=O)[C@@H](N)CCN.
What is the InChIKey of (2S)-2,4-diamino-N-tert-butylbutanamide?
The InChIKey is QVWZNJYNMYLZPN-LURJTMIESA-N. The full InChI is InChI=1S/C8H19N3O/c1-8(2,3)11-7(12)6(10)4-5-9/h6H,4-5,9-10H2,1-3H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2,4-diamino-N-tert-butylbutanamide?
(2S)-2,4-diamino-N-tert-butylbutanamide has a molecular weight of 173.26 g/mol, XLogP of -0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-diamino-N-tert-butylbutanamide is sourced from PubChem (CID 164800248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).