(2S)-2-amino-N-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide

C12H25N3O2 — CID 82961659

IUPAC(2S)-2-amino-N-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C(C)C
InChIInChI=1S/C12H25N3O2/c1-6-15(9(4)5)10(16)7-14-12(17)11(13)8(2)3/h8-9,11H,6-7,13H2,1-5H3,(H,14,17)/t11-/m0/s1
InChIKeyLWROLURXQJQMDO-NSHDSACASA-N
MW243.35 g/mol
LogP0.34
Rot. Bonds6

About (2S)-2-amino-N-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 82961659) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide
PubChem CID82961659
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name(2S)-2-amino-N-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C(C)C
InChIInChI=1S/C12H25N3O2/c1-6-15(9(4)5)10(16)7-14-12(17)11(13)8(2)3/h8-9,11H,6-7,13H2,1-5H3,(H,14,17)/t11-/m0/s1
InChIKeyLWROLURXQJQMDO-NSHDSACASA-N
XLogP0.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-oxoethyl]-3-methylbutanamide
CID 103188725
3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]-ethylamino]propanoic acid
CID 82962276
(2S)-2-amino-N-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 113475625
2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
CID 6993111
2-amino-N-ethyl-3-methyl-N-propan-2-ylbutanamide
CID 43265863
(2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82962169
(2S)-2-amino-N-[2-[2-cyanopropyl(ethyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82961896
(2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide
CID 104940094
2-amino-N-(2-chloroprop-2-enyl)-3-methylbutanamide
CID 115734359
(2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide
CID 62642428
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
(2R)-2-amino-N-[2-(diethylamino)-2-oxoethyl]propanamide
CID 103795937

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide (CID 82961659) is (2S)-2-amino-N-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide is CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is LWROLURXQJQMDO-NSHDSACASA-N. The full InChI is InChI=1S/C12H25N3O2/c1-6-15(9(4)5)10(16)7-14-12(17)11(13)8(2)3/h8-9,11H,6-7,13H2,1-5H3,(H,14,17)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 243.35 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 82961659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).