(2S)-2-amino-N-[2-(1-methoxybutan-2-ylamino)-2-oxoethyl]-3-methylbutanamide

C12H25N3O3 — CID 82961919

IUPAC(2S)-2-amino-N-[2-(1-methoxybutan-2-ylamino)-2-oxoethyl]-3-methylbutanamide
SMILESCCC(COC)NC(=O)CNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C12H25N3O3/c1-5-9(7-18-4)15-10(16)6-14-12(17)11(13)8(2)3/h8-9,11H,5-7,13H2,1-4H3,(H,14,17)(H,15,16)/t9?,11-/m0/s1
InChIKeyIXCYTUCKUOAMFQ-UMJHXOGRSA-N
MW259.35 g/mol
LogP-0.37
Rot. Bonds8

About (2S)-2-amino-N-[2-(1-methoxybutan-2-ylamino)-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-(1-methoxybutan-2-ylamino)-2-oxoethyl]-3-methylbutanamide (PubChem CID 82961919) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(1-methoxybutan-2-ylamino)-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(1-methoxybutan-2-ylamino)-2-oxoethyl]-3-methylbutanamide
PubChem CID82961919
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name(2S)-2-amino-N-[2-(1-methoxybutan-2-ylamino)-2-oxoethyl]-3-methylbutanamide
SMILESCCC(COC)NC(=O)CNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C12H25N3O3/c1-5-9(7-18-4)15-10(16)6-14-12(17)11(13)8(2)3/h8-9,11H,5-7,13H2,1-4H3,(H,14,17)(H,15,16)/t9?,11-/m0/s1
InChIKeyIXCYTUCKUOAMFQ-UMJHXOGRSA-N
XLogP-0.37
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(1-methoxybutan-2-yl)-3-methylbutanamide
CID 79012417
(2S)-2-amino-N-[2-(hex-5-yn-3-ylamino)-2-oxoethyl]-3-methylbutanamide
CID 113477462
methyl 2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]propanoate
CID 82961827
(2S,3S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-3-methylpentanoic acid
CID 82961749
(2S)-2-amino-N-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 103884969
N-(1-methoxybutan-2-yl)propanamide
CID 64590697
(2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 61173876
(2S)-2-amino-3-methyl-N-[2-(4-methylpentan-2-ylamino)-2-oxoethyl]butanamide
CID 82961438
(2S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 82964112
(2S)-2-amino-3-methyl-N-[2-(1-methylsulfanylpropan-2-ylamino)-2-oxoethyl]butanamide
CID 103885028
2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride
CID 119695004
2-(1-methoxypropan-2-ylamino)-N-pentan-3-ylacetamide
CID 60672224

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(1-methoxybutan-2-ylamino)-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(1-methoxybutan-2-ylamino)-2-oxoethyl]-3-methylbutanamide (CID 82961919) is (2S)-2-amino-N-[2-(1-methoxybutan-2-ylamino)-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(1-methoxybutan-2-ylamino)-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(1-methoxybutan-2-ylamino)-2-oxoethyl]-3-methylbutanamide is CCC(COC)NC(=O)CNC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-(1-methoxybutan-2-ylamino)-2-oxoethyl]-3-methylbutanamide?
The InChIKey is IXCYTUCKUOAMFQ-UMJHXOGRSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-5-9(7-18-4)15-10(16)6-14-12(17)11(13)8(2)3/h8-9,11H,5-7,13H2,1-4H3,(H,14,17)(H,15,16)/t9?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(1-methoxybutan-2-ylamino)-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-(1-methoxybutan-2-ylamino)-2-oxoethyl]-3-methylbutanamide has a molecular weight of 259.35 g/mol, XLogP of -0.37, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(1-methoxybutan-2-ylamino)-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 82961919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).