(2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide

C8H17N3O2 — CID 94523923

IUPAC(2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
SMILESCNC(=O)[C@H](C)NC(=O)[C@@H](C)NC
InChIInChI=1S/C8H17N3O2/c1-5(9-3)8(13)11-6(2)7(12)10-4/h5-6,9H,1-4H3,(H,10,12)(H,11,13)/t5-,6+/m1/s1
InChIKeyCXDDMKMKTRIWAA-RITPCOANSA-N
MW187.24 g/mol
LogP-1.15
Rot. Bonds4

About (2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide

(2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide (PubChem CID 94523923) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
PubChem CID94523923
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name(2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
SMILESCNC(=O)[C@H](C)NC(=O)[C@@H](C)NC
InChIInChI=1S/C8H17N3O2/c1-5(9-3)8(13)11-6(2)7(12)10-4/h5-6,9H,1-4H3,(H,10,12)(H,11,13)/t5-,6+/m1/s1
InChIKeyCXDDMKMKTRIWAA-RITPCOANSA-N
XLogP-1.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-[[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71340573
(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-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 14888125
2-[2-(methylamino)propanoylamino]propanamide
CID 62637644
2-(2-bromopropanoylamino)-N-methylpropanamide
CID 107904965
N-methyl-2-[2-[2-(methylamino)propanoylamino]propanoylamino]butanediamide
CID 142463784
(2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide
CID 61467429
3-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid
CID 146653249
2-(chloroamino)-N-methylpropanamide
CID 19827989
N-methyl-2-(methylcarbamothioylamino)propanamide
CID 115588003
(2S)-N-butan-2-yl-2-(methylamino)propanamide
CID 130563801
2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-4-sulfanylbutanamide
CID 59138419

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide?
The IUPAC name of (2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide (CID 94523923) is (2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide?
The canonical SMILES for (2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide is CNC(=O)[C@H](C)NC(=O)[C@@H](C)NC.
What is the InChIKey of (2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide?
The InChIKey is CXDDMKMKTRIWAA-RITPCOANSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-5(9-3)8(13)11-6(2)7(12)10-4/h5-6,9H,1-4H3,(H,10,12)(H,11,13)/t5-,6+/m1/s1.
What are the key properties of (2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide?
(2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide has a molecular weight of 187.24 g/mol, XLogP of -1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 94523923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).