5-amino-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-oxopentanoic acid

C13H23N3O4 — CID 64679399

IUPAC5-amino-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)CC1(N)CCCCC1)C(=O)O
InChIInChI=1S/C13H23N3O4/c14-10(17)5-4-9(12(19)20)16-11(18)8-13(15)6-2-1-3-7-13/h9H,1-8,15H2,(H2,14,17)(H,16,18)(H,19,20)
InChIKeySXKZWEDJBGLUCY-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.13
Rot. Bonds7

About 5-amino-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-oxopentanoic acid

5-amino-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-oxopentanoic acid (PubChem CID 64679399) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-amino-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-oxopentanoic acid
PubChem CID64679399
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name5-amino-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)CC1(N)CCCCC1)C(=O)O
InChIInChI=1S/C13H23N3O4/c14-10(17)5-4-9(12(19)20)16-11(18)8-13(15)6-2-1-3-7-13/h9H,1-8,15H2,(H2,14,17)(H,16,18)(H,19,20)
InChIKeySXKZWEDJBGLUCY-UHFFFAOYSA-N
XLogP-0.13
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-amino-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-oxopentanoic acid with MolForge

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Related Compounds

(2S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824195
(2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid
CID 107565076
2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786524
2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxypentanoic acid
CID 81078638
(2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid
CID 79854103
5-amino-2-[[7-[(4-amino-1-carboxy-4-oxobutyl)amino]-7-oxoheptanoyl]amino]-5-oxopentanoic acid
CID 22096663
2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]pentanedioic acid
CID 65242121
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
(2R)-5-amino-2-[(1-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107830897
(2R)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid
CID 104902044
(2R)-5-amino-2-[(1-ethylcyclobutyl)carbamoylamino]-5-oxopentanoic acid
CID 107831122
(2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid
CID 114006011

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-oxopentanoic acid (CID 64679399) is 5-amino-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-oxopentanoic acid is NC(=O)CCC(NC(=O)CC1(N)CCCCC1)C(=O)O.
What is the InChIKey of 5-amino-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-oxopentanoic acid?
The InChIKey is SXKZWEDJBGLUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c14-10(17)5-4-9(12(19)20)16-11(18)8-13(15)6-2-1-3-7-13/h9H,1-8,15H2,(H2,14,17)(H,16,18)(H,19,20).
What are the key properties of 5-amino-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-oxopentanoic acid?
5-amino-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-oxopentanoic acid has a molecular weight of 285.34 g/mol, XLogP of -0.13, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 64679399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).