(2R)-N-[(2R)-1-amino-1-oxopropan-2-yl]-2-methyl-3-(2-oxopropylsulfanyl)propanamide

C10H18N2O3S — CID 168915519

IUPAC(2R)-N-[(2R)-1-amino-1-oxopropan-2-yl]-2-methyl-3-(2-oxopropylsulfanyl)propanamide
SMILESCC(=O)CSC[C@H](C)C(=O)N[C@H](C)C(N)=O
InChIInChI=1S/C10H18N2O3S/c1-6(4-16-5-7(2)13)10(15)12-8(3)9(11)14/h6,8H,4-5H2,1-3H3,(H2,11,14)(H,12,15)/t6-,8+/m0/s1
InChIKeyXCKNNMMANAJPAR-POYBYMJQSA-N
MW246.33 g/mol
LogP-0.07
Rot. Bonds7

About (2R)-N-[(2R)-1-amino-1-oxopropan-2-yl]-2-methyl-3-(2-oxopropylsulfanyl)propanamide

(2R)-N-[(2R)-1-amino-1-oxopropan-2-yl]-2-methyl-3-(2-oxopropylsulfanyl)propanamide (PubChem CID 168915519) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is (2R)-N-[(2R)-1-amino-1-oxopropan-2-yl]-2-methyl-3-(2-oxopropylsulfanyl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-1-amino-1-oxopropan-2-yl]-2-methyl-3-(2-oxopropylsulfanyl)propanamide
PubChem CID168915519
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name(2R)-N-[(2R)-1-amino-1-oxopropan-2-yl]-2-methyl-3-(2-oxopropylsulfanyl)propanamide
SMILESCC(=O)CSC[C@H](C)C(=O)N[C@H](C)C(N)=O
InChIInChI=1S/C10H18N2O3S/c1-6(4-16-5-7(2)13)10(15)12-8(3)9(11)14/h6,8H,4-5H2,1-3H3,(H2,11,14)(H,12,15)/t6-,8+/m0/s1
InChIKeyXCKNNMMANAJPAR-POYBYMJQSA-N
XLogP-0.07
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide
CID 176992458
2-(2-methoxypropanoylamino)propanamide
CID 115588153
(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide
CID 78972368
2-[2-(methylamino)propanoylamino]propanamide
CID 62637644
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopropylsulfanyl)propanoate
CID 163409805
2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide
CID 43649626
(2S)-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
CID 103791005
2-amino-N-(1-amino-1-oxopropan-2-yl)-3,3-dimethylbutanamide
CID 76893601
2-amino-N-[(2S)-1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide
CID 142153826
3-[(1-amino-1-oxopropan-2-yl)amino]-2-methyl-3-oxopropanoic acid
CID 114896888
N-(1-amino-1-oxopropan-2-yl)-2-(2-aminopropanoylamino)butanamide
CID 163972321
N-(1-amino-1-oxopropan-2-yl)-2-[(2-hydrazinyl-3-hydroxypropanoyl)amino]-3-hydroxypropanamide
CID 126634892

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-1-amino-1-oxopropan-2-yl]-2-methyl-3-(2-oxopropylsulfanyl)propanamide?
The IUPAC name of (2R)-N-[(2R)-1-amino-1-oxopropan-2-yl]-2-methyl-3-(2-oxopropylsulfanyl)propanamide (CID 168915519) is (2R)-N-[(2R)-1-amino-1-oxopropan-2-yl]-2-methyl-3-(2-oxopropylsulfanyl)propanamide.
What is the SMILES notation for (2R)-N-[(2R)-1-amino-1-oxopropan-2-yl]-2-methyl-3-(2-oxopropylsulfanyl)propanamide?
The canonical SMILES for (2R)-N-[(2R)-1-amino-1-oxopropan-2-yl]-2-methyl-3-(2-oxopropylsulfanyl)propanamide is CC(=O)CSC[C@H](C)C(=O)N[C@H](C)C(N)=O.
What is the InChIKey of (2R)-N-[(2R)-1-amino-1-oxopropan-2-yl]-2-methyl-3-(2-oxopropylsulfanyl)propanamide?
The InChIKey is XCKNNMMANAJPAR-POYBYMJQSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-6(4-16-5-7(2)13)10(15)12-8(3)9(11)14/h6,8H,4-5H2,1-3H3,(H2,11,14)(H,12,15)/t6-,8+/m0/s1.
What are the key properties of (2R)-N-[(2R)-1-amino-1-oxopropan-2-yl]-2-methyl-3-(2-oxopropylsulfanyl)propanamide?
(2R)-N-[(2R)-1-amino-1-oxopropan-2-yl]-2-methyl-3-(2-oxopropylsulfanyl)propanamide has a molecular weight of 246.33 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-1-amino-1-oxopropan-2-yl]-2-methyl-3-(2-oxopropylsulfanyl)propanamide is sourced from PubChem (CID 168915519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).