5-amino-2-[(2-aminocyclohexyl)carbamoylamino]-5-oxopentanoic acid

C12H22N4O4 — CID 61408424

IUPAC5-amino-2-[(2-aminocyclohexyl)carbamoylamino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)NC1CCCCC1N)C(=O)O
InChIInChI=1S/C12H22N4O4/c13-7-3-1-2-4-8(7)15-12(20)16-9(11(18)19)5-6-10(14)17/h7-9H,1-6,13H2,(H2,14,17)(H,18,19)(H2,15,16,20)
InChIKeyWCTUZGQMRCNVQR-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.73
Rot. Bonds6

About 5-amino-2-[(2-aminocyclohexyl)carbamoylamino]-5-oxopentanoic acid

5-amino-2-[(2-aminocyclohexyl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 61408424) has the molecular formula C12H22N4O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-amino-2-[(2-aminocyclohexyl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(2-aminocyclohexyl)carbamoylamino]-5-oxopentanoic acid
PubChem CID61408424
Molecular FormulaC12H22N4O4
Molecular Weight286.33 g/mol
Exact Mass286.16
IUPAC Name5-amino-2-[(2-aminocyclohexyl)carbamoylamino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)NC1CCCCC1N)C(=O)O
InChIInChI=1S/C12H22N4O4/c13-7-3-1-2-4-8(7)15-12(20)16-9(11(18)19)5-6-10(14)17/h7-9H,1-6,13H2,(H2,14,17)(H,18,19)(H2,15,16,20)
InChIKeyWCTUZGQMRCNVQR-UHFFFAOYSA-N
XLogP-0.73
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid
CID 107566363
(2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid
CID 107830466
(2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 107830518
(2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid
CID 107830206
(2R)-5-amino-2-[(2-methyloxolan-3-yl)carbamoylamino]-5-oxopentanoic acid
CID 114006113
(2S)-5-amino-5-oxo-2-(thian-3-ylcarbamoylamino)pentanoic acid
CID 113364258
6-[(2-aminocyclohexyl)carbamoylamino]-2-methylheptanoic acid
CID 65289906
5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 61199710
(2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid
CID 62406706
(2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
CID 104937664
5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 64743920
(2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid
CID 107830570

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-aminocyclohexyl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(2-aminocyclohexyl)carbamoylamino]-5-oxopentanoic acid (CID 61408424) is 5-amino-2-[(2-aminocyclohexyl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(2-aminocyclohexyl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(2-aminocyclohexyl)carbamoylamino]-5-oxopentanoic acid is NC(=O)CCC(NC(=O)NC1CCCCC1N)C(=O)O.
What is the InChIKey of 5-amino-2-[(2-aminocyclohexyl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is WCTUZGQMRCNVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4/c13-7-3-1-2-4-8(7)15-12(20)16-9(11(18)19)5-6-10(14)17/h7-9H,1-6,13H2,(H2,14,17)(H,18,19)(H2,15,16,20).
What are the key properties of 5-amino-2-[(2-aminocyclohexyl)carbamoylamino]-5-oxopentanoic acid?
5-amino-2-[(2-aminocyclohexyl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 286.33 g/mol, XLogP of -0.73, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-aminocyclohexyl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 61408424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).