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

C13H25N3O3 — CID 77267706

IUPAC2-amino-5-[[2-(1-aminocyclohexyl)acetyl]amino]pentanoic acid
SMILESNC(CCCNC(=O)CC1(N)CCCCC1)C(=O)O
InChIInChI=1S/C13H25N3O3/c14-10(12(18)19)5-4-8-16-11(17)9-13(15)6-2-1-3-7-13/h10H,1-9,14-15H2,(H,16,17)(H,18,19)
InChIKeyFQXRUDPBJFASNZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.35
Rot. Bonds7

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

2-amino-5-[[2-(1-aminocyclohexyl)acetyl]amino]pentanoic acid (PubChem CID 77267706) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-amino-5-[[2-(1-aminocyclohexyl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-amino-5-[[2-(1-aminocyclohexyl)acetyl]amino]pentanoic acid
PubChem CID77267706
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-amino-5-[[2-(1-aminocyclohexyl)acetyl]amino]pentanoic acid
SMILESNC(CCCNC(=O)CC1(N)CCCCC1)C(=O)O
InChIInChI=1S/C13H25N3O3/c14-10(12(18)19)5-4-8-16-11(17)9-13(15)6-2-1-3-7-13/h10H,1-9,14-15H2,(H,16,17)(H,18,19)
InChIKeyFQXRUDPBJFASNZ-UHFFFAOYSA-N
XLogP0.35
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminocyclopentyl)-N-(5-methylhexyl)acetamide
CID 113287459
2-(1-aminocyclopentyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 64685760
2-(1-aminocyclopentyl)-N-(7-methyloctyl)acetamide
CID 64677183
2-(1-aminocyclopentyl)-N-pentylacetamide
CID 64684132
2-(1-aminocyclobutyl)-N-(7-methyloctyl)acetamide
CID 79854287
(2S)-2-amino-5-(3-aminopropanoylamino)pentanoic acid
CID 87358658
2-(1-aminocyclobutyl)-N-(2-aminoethyl)acetamide
CID 79853853
2-(1-aminocyclobutyl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 79854985
2-(1-aminocyclohexyl)-N-(2-cyclohexylethyl)acetamide
CID 64683670
3-[[2-(1-aminocyclohexyl)acetyl]amino]-2-methoxypropanoic acid
CID 106108885
2-(1-aminocyclohexyl)-N-(2-amino-2-oxoethyl)acetamide
CID 64684917
2-(1-aminocyclopentyl)-N-(2-sulfamoylethyl)acetamide
CID 64686169

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[2-(1-aminocyclohexyl)acetyl]amino]pentanoic acid?
The IUPAC name of 2-amino-5-[[2-(1-aminocyclohexyl)acetyl]amino]pentanoic acid (CID 77267706) is 2-amino-5-[[2-(1-aminocyclohexyl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 2-amino-5-[[2-(1-aminocyclohexyl)acetyl]amino]pentanoic acid?
The canonical SMILES for 2-amino-5-[[2-(1-aminocyclohexyl)acetyl]amino]pentanoic acid is NC(CCCNC(=O)CC1(N)CCCCC1)C(=O)O.
What is the InChIKey of 2-amino-5-[[2-(1-aminocyclohexyl)acetyl]amino]pentanoic acid?
The InChIKey is FQXRUDPBJFASNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c14-10(12(18)19)5-4-8-16-11(17)9-13(15)6-2-1-3-7-13/h10H,1-9,14-15H2,(H,16,17)(H,18,19).
What are the key properties of 2-amino-5-[[2-(1-aminocyclohexyl)acetyl]amino]pentanoic acid?
2-amino-5-[[2-(1-aminocyclohexyl)acetyl]amino]pentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.35, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[2-(1-aminocyclohexyl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 77267706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).