(2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide

C9H19N3O2 — CID 61467429

IUPAC(2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide
SMILESCNC(=O)C(C)NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C9H19N3O2/c1-5(2)7(10)9(14)12-6(3)8(13)11-4/h5-7H,10H2,1-4H3,(H,11,13)(H,12,14)/t6?,7-/m0/s1
InChIKeyGKGPWGYENOYIAK-MLWJPKLSSA-N
MW201.27 g/mol
LogP-0.78
Rot. Bonds4

About (2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide

(2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide (PubChem CID 61467429) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide
PubChem CID61467429
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name(2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide
SMILESCNC(=O)C(C)NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C9H19N3O2/c1-5(2)7(10)9(14)12-6(3)8(13)11-4/h5-7H,10H2,1-4H3,(H,11,13)(H,12,14)/t6?,7-/m0/s1
InChIKeyGKGPWGYENOYIAK-MLWJPKLSSA-N
XLogP-0.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 14888125
2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 88930533
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
CID 61154394
3-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]propanoic acid
CID 170549773
2-methyl-N-[1-[[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71340573
(2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 94523923
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 25120389
2-(2-bromopropanoylamino)-N-methylpropanamide
CID 107904965
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71361060
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]butanedioic acid
CID 87647599
(2R)-2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]pentanamide
CID 103795688
tert-butyl 2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoate
CID 87406078

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide (CID 61467429) is (2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide is CNC(=O)C(C)NC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide?
The InChIKey is GKGPWGYENOYIAK-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-5(2)7(10)9(14)12-6(3)8(13)11-4/h5-7H,10H2,1-4H3,(H,11,13)(H,12,14)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide?
(2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide has a molecular weight of 201.27 g/mol, XLogP of -0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide is sourced from PubChem (CID 61467429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).