(2S)-2-amino-N-tert-butyl-3-methoxypropanamide

C8H18N2O2 — CID 164800240

IUPAC(2S)-2-amino-N-tert-butyl-3-methoxypropanamide
SMILESCOC[C@H](N)C(=O)NC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-8(2,3)10-7(11)6(9)5-12-4/h6H,5,9H2,1-4H3,(H,10,11)/t6-/m0/s1
InChIKeyYOXQBOWUJDDZQL-LURJTMIESA-N
MW174.24 g/mol
LogP-0.13
Rot. Bonds3

About (2S)-2-amino-N-tert-butyl-3-methoxypropanamide

(2S)-2-amino-N-tert-butyl-3-methoxypropanamide (PubChem CID 164800240) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2S)-2-amino-N-tert-butyl-3-methoxypropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-tert-butyl-3-methoxypropanamide
PubChem CID164800240
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name(2S)-2-amino-N-tert-butyl-3-methoxypropanamide
SMILESCOC[C@H](N)C(=O)NC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-8(2,3)10-7(11)6(9)5-12-4/h6H,5,9H2,1-4H3,(H,10,11)/t6-/m0/s1
InChIKeyYOXQBOWUJDDZQL-LURJTMIESA-N
XLogP-0.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-3-methoxypropanoyl)amino]-2-methylpropanamide
CID 81089472
2-amino-3-methoxy-N-(3-methylpentan-3-yl)propanamide
CID 106328510
(2S)-2-amino-N-tert-butylbutanamide
CID 79025313
2-amino-N-(2-hydroxy-2-methylpropyl)-3-methoxypropanamide
CID 81101223
(2R)-2-amino-3-[[(2R)-2-amino-3-(tert-butylamino)-3-oxopropyl]disulfanyl]-N-tert-butylpropanamide
CID 142641960
(2S)-2,4-diamino-N-tert-butylbutanamide
CID 164800248
methyl (2S)-2-amino-3-methoxypropanoate
CID 11182627
2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-methoxypropanamide
CID 115360310
2-[(2-amino-3-methoxypropyl)-methylamino]-N-tert-butylpropanamide
CID 63761507
2-amino-3-methoxy-N-(1-methoxypropan-2-yl)propanamide
CID 81082109
3-amino-N-tert-butyl-2-methoxypropanamide
CID 106110957
2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide
CID 81081326

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-tert-butyl-3-methoxypropanamide?
The IUPAC name of (2S)-2-amino-N-tert-butyl-3-methoxypropanamide (CID 164800240) is (2S)-2-amino-N-tert-butyl-3-methoxypropanamide.
What is the SMILES notation for (2S)-2-amino-N-tert-butyl-3-methoxypropanamide?
The canonical SMILES for (2S)-2-amino-N-tert-butyl-3-methoxypropanamide is COC[C@H](N)C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-tert-butyl-3-methoxypropanamide?
The InChIKey is YOXQBOWUJDDZQL-LURJTMIESA-N. The full InChI is InChI=1S/C8H18N2O2/c1-8(2,3)10-7(11)6(9)5-12-4/h6H,5,9H2,1-4H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-tert-butyl-3-methoxypropanamide?
(2S)-2-amino-N-tert-butyl-3-methoxypropanamide has a molecular weight of 174.24 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-tert-butyl-3-methoxypropanamide is sourced from PubChem (CID 164800240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).