1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxamide

C16H28N4O3 — CID 91430942

IUPAC1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxamide
SMILESCNCC(=O)NC(C(=O)N1CCCC1C(N)=O)C1CCCCC1
InChIInChI=1S/C16H28N4O3/c1-18-10-13(21)19-14(11-6-3-2-4-7-11)16(23)20-9-5-8-12(20)15(17)22/h11-12,14,18H,2-10H2,1H3,(H2,17,22)(H,19,21)
InChIKeyUEHCPSZJLVAQEJ-UHFFFAOYSA-N
MW324.43 g/mol
LogP-0.25
Rot. Bonds6

About 1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxamide

1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxamide (PubChem CID 91430942) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxamide
PubChem CID91430942
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxamide
SMILESCNCC(=O)NC(C(=O)N1CCCC1C(N)=O)C1CCCCC1
InChIInChI=1S/C16H28N4O3/c1-18-10-13(21)19-14(11-6-3-2-4-7-11)16(23)20-9-5-8-12(20)15(17)22/h11-12,14,18H,2-10H2,1H3,(H2,17,22)(H,19,21)
InChIKeyUEHCPSZJLVAQEJ-UHFFFAOYSA-N
XLogP-0.25
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;hydrobromide
CID 175808020
1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-4-(2-methylpropanoylamino)pyrrolidine-2-carboxamide
CID 170953913
(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetamide
CID 90253995
butane;1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-4-(2-methylpropanoylamino)pyrrolidine-2-carboxamide;ethane
CID 170953912
1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide
CID 156857207
(2S)-1-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 11501269
1-[2-cyclohexyl-2-(ethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 22665766
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 58492264
(2S)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide
CID 143684092
1-(2-bromobutanoyl)piperidine-2-carboxamide
CID 62854478
1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
methyl (2S)-1-[2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylate
CID 154984761

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxamide (CID 91430942) is 1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxamide is CNCC(=O)NC(C(=O)N1CCCC1C(N)=O)C1CCCCC1.
What is the InChIKey of 1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is UEHCPSZJLVAQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-18-10-13(21)19-14(11-6-3-2-4-7-11)16(23)20-9-5-8-12(20)15(17)22/h11-12,14,18H,2-10H2,1H3,(H2,17,22)(H,19,21).
What are the key properties of 1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxamide?
1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of -0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 91430942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).