(2S)-2-acetamido-4-amino-N-methylbutanamide

C7H15N3O2 — CID 89072475

IUPAC(2S)-2-acetamido-4-amino-N-methylbutanamide
SMILESCNC(=O)[C@H](CCN)NC(C)=O
InChIInChI=1S/C7H15N3O2/c1-5(11)10-6(3-4-8)7(12)9-2/h6H,3-4,8H2,1-2H3,(H,9,12)(H,10,11)/t6-/m0/s1
InChIKeyZBOGAEHLANTCTK-LURJTMIESA-N
MW173.22 g/mol
LogP-1.41
Rot. Bonds4

About (2S)-2-acetamido-4-amino-N-methylbutanamide

(2S)-2-acetamido-4-amino-N-methylbutanamide (PubChem CID 89072475) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is (2S)-2-acetamido-4-amino-N-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-4-amino-N-methylbutanamide
PubChem CID89072475
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name(2S)-2-acetamido-4-amino-N-methylbutanamide
SMILESCNC(=O)[C@H](CCN)NC(C)=O
InChIInChI=1S/C7H15N3O2/c1-5(11)10-6(3-4-8)7(12)9-2/h6H,3-4,8H2,1-2H3,(H,9,12)(H,10,11)/t6-/m0/s1
InChIKeyZBOGAEHLANTCTK-LURJTMIESA-N
XLogP-1.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-acetamido-4-(methylamino)-4-oxobutyl]-methyl-oxophosphanium
CID 72538863
2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide
CID 80542489
2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane
CID 171511904
2-acetamido-6-(carbamoylamino)-N-methylhexanamide
CID 177168522
(3S)-3-acetamido-4-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 134578735
6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide
CID 178053261
S-[2-acetamido-3-(methylamino)-3-oxopropyl] ethanethioate
CID 130369900
2-acetamido-3-[2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylpropanamide
CID 130374120
methyl (2R)-2-acetamido-3-[[(2R)-2-acetamido-3-(methylamino)-3-oxopropyl]disulfanyl]propanoate
CID 155380964
(2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-(4-aminobutylamino)-1-oxohexan-2-yl]hexanamide
CID 72708054
4-amino-2-methyl-N-propan-2-ylbutanamide
CID 80541541
5-amino-3-(methylamino)pentan-2-one;methane
CID 157156675

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-4-amino-N-methylbutanamide?
The IUPAC name of (2S)-2-acetamido-4-amino-N-methylbutanamide (CID 89072475) is (2S)-2-acetamido-4-amino-N-methylbutanamide.
What is the SMILES notation for (2S)-2-acetamido-4-amino-N-methylbutanamide?
The canonical SMILES for (2S)-2-acetamido-4-amino-N-methylbutanamide is CNC(=O)[C@H](CCN)NC(C)=O.
What is the InChIKey of (2S)-2-acetamido-4-amino-N-methylbutanamide?
The InChIKey is ZBOGAEHLANTCTK-LURJTMIESA-N. The full InChI is InChI=1S/C7H15N3O2/c1-5(11)10-6(3-4-8)7(12)9-2/h6H,3-4,8H2,1-2H3,(H,9,12)(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-2-acetamido-4-amino-N-methylbutanamide?
(2S)-2-acetamido-4-amino-N-methylbutanamide has a molecular weight of 173.22 g/mol, XLogP of -1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-4-amino-N-methylbutanamide is sourced from PubChem (CID 89072475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).