(2S)-2-[acetyl(methyl)amino]-N-(methylcarbamoyl)propanamide

C8H15N3O3 — CID 122467125

IUPAC(2S)-2-[acetyl(methyl)amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N(C)C(C)=O
InChIInChI=1S/C8H15N3O3/c1-5(11(4)6(2)12)7(13)10-8(14)9-3/h5H,1-4H3,(H2,9,10,13,14)/t5-/m0/s1
InChIKeyXAJDYUBHGNDCBF-YFKPBYRVSA-N
MW201.23 g/mol
LogP-0.69
Rot. Bonds2

About (2S)-2-[acetyl(methyl)amino]-N-(methylcarbamoyl)propanamide

(2S)-2-[acetyl(methyl)amino]-N-(methylcarbamoyl)propanamide (PubChem CID 122467125) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is (2S)-2-[acetyl(methyl)amino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[acetyl(methyl)amino]-N-(methylcarbamoyl)propanamide
PubChem CID122467125
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name(2S)-2-[acetyl(methyl)amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N(C)C(C)=O
InChIInChI=1S/C8H15N3O3/c1-5(11(4)6(2)12)7(13)10-8(14)9-3/h5H,1-4H3,(H2,9,10,13,14)/t5-/m0/s1
InChIKeyXAJDYUBHGNDCBF-YFKPBYRVSA-N
XLogP-0.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(methyl)amino]-N-hydroxypropanamide
CID 20680996
2-[1-hydroxypropan-2-yl(methyl)amino]-N-(methylcarbamoyl)propanamide
CID 104554164
(2S)-2-[acetyl(methyl)amino]-4-methyl-N-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]pentanamide
CID 173330890
3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 60987240
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(methylcarbamoyl)propanamide
CID 79389621
2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide
CID 60685692
N-(methylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63301559
methyl 2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate
CID 62011390
N-(methylcarbamoyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide
CID 79120588
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(methylcarbamoyl)propanamide
CID 107494561
2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-prop-2-ynylamino]acetic acid
CID 79282980
2-[acetyl(methyl)amino]-N-(4-methylpentan-2-yl)propanamide;methane
CID 160730867

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[acetyl(methyl)amino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-[acetyl(methyl)amino]-N-(methylcarbamoyl)propanamide (CID 122467125) is (2S)-2-[acetyl(methyl)amino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-[acetyl(methyl)amino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-[acetyl(methyl)amino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@H](C)N(C)C(C)=O.
What is the InChIKey of (2S)-2-[acetyl(methyl)amino]-N-(methylcarbamoyl)propanamide?
The InChIKey is XAJDYUBHGNDCBF-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-5(11(4)6(2)12)7(13)10-8(14)9-3/h5H,1-4H3,(H2,9,10,13,14)/t5-/m0/s1.
What are the key properties of (2S)-2-[acetyl(methyl)amino]-N-(methylcarbamoyl)propanamide?
(2S)-2-[acetyl(methyl)amino]-N-(methylcarbamoyl)propanamide has a molecular weight of 201.23 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[acetyl(methyl)amino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 122467125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).