(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetamide

C11H21N3O2 — CID 90253995

IUPAC(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetamide
SMILESCNCC(=O)N[C@H](C(N)=O)C1CCCCC1
InChIInChI=1S/C11H21N3O2/c1-13-7-9(15)14-10(11(12)16)8-5-3-2-4-6-8/h8,10,13H,2-7H2,1H3,(H2,12,16)(H,14,15)/t10-/m0/s1
InChIKeyWZJQRQNPEGAEBP-JTQLQIEISA-N
MW227.31 g/mol
LogP-0.24
Rot. Bonds5

About (2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetamide

(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetamide (PubChem CID 90253995) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetamide.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetamide
PubChem CID90253995
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetamide
SMILESCNCC(=O)N[C@H](C(N)=O)C1CCCCC1
InChIInChI=1S/C11H21N3O2/c1-13-7-9(15)14-10(11(12)16)8-5-3-2-4-6-8/h8,10,13H,2-7H2,1H3,(H2,12,16)(H,14,15)/t10-/m0/s1
InChIKeyWZJQRQNPEGAEBP-JTQLQIEISA-N
XLogP-0.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxamide
CID 91430942
3-cyclohexyl-3-[[2-(methylamino)acetyl]amino]propanamide;hydrochloride
CID 119818633
(2S)-2-acetamido-2-cyclopentylacetamide
CID 177134286
N-(1-cyclohexyl-2-oxoethyl)-2-(methylamino)acetamide
CID 143623546
1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-4-(2-methylpropanoylamino)pyrrolidine-2-carboxamide
CID 170953913
2-cyclohexyl-2-(cyclopropylamino)acetamide
CID 60795809
tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
CID 75423323
butane;1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-4-(2-methylpropanoylamino)pyrrolidine-2-carboxamide;ethane
CID 170953912
N-(2-amino-1-cyclohexyl-2-oxoethyl)-3-naphthalen-2-ylpropanamide
CID 142442818
N-[2-[[(Z)-2-amino-1-aminosulfanyl-2-phenylethenyl]amino]-2-oxoethyl]-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetamide;2-methoxypropane
CID 143833771
(2S)-2-cycloheptyl-2-[[2-(ethylamino)acetyl]amino]-N-methylacetamide;ethene;molecular hydrogen;hydrate
CID 143783016
2-[[2-(cyclopentylamino)acetyl]amino]propanamide
CID 60848891

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetamide?
The IUPAC name of (2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetamide (CID 90253995) is (2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetamide.
What is the SMILES notation for (2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetamide?
The canonical SMILES for (2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetamide is CNCC(=O)N[C@H](C(N)=O)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetamide?
The InChIKey is WZJQRQNPEGAEBP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21N3O2/c1-13-7-9(15)14-10(11(12)16)8-5-3-2-4-6-8/h8,10,13H,2-7H2,1H3,(H2,12,16)(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetamide?
(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetamide has a molecular weight of 227.31 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetamide is sourced from PubChem (CID 90253995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).