2-[3-(cyclohexylamino)propylamino]acetic acid

C11H22N2O2 — CID 172685431

IUPAC2-[3-(cyclohexylamino)propylamino]acetic acid
SMILESO=C(O)CNCCCNC1CCCCC1
InChIInChI=1S/C11H22N2O2/c14-11(15)9-12-7-4-8-13-10-5-2-1-3-6-10/h10,12-13H,1-9H2,(H,14,15)
InChIKeyAYYSFYNAGMEPMS-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.97
Rot. Bonds7

About 2-[3-(cyclohexylamino)propylamino]acetic acid

2-[3-(cyclohexylamino)propylamino]acetic acid (PubChem CID 172685431) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[3-(cyclohexylamino)propylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(cyclohexylamino)propylamino]acetic acid
PubChem CID172685431
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[3-(cyclohexylamino)propylamino]acetic acid
SMILESO=C(O)CNCCCNC1CCCCC1
InChIInChI=1S/C11H22N2O2/c14-11(15)9-12-7-4-8-13-10-5-2-1-3-6-10/h10,12-13H,1-9H2,(H,14,15)
InChIKeyAYYSFYNAGMEPMS-UHFFFAOYSA-N
XLogP0.97
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(cyclohexylamino)propylamino]butanoic acid
CID 135231952
4-(cycloheptylamino)butanoic acid
CID 43377987
sodium;2-(cyclohexylamino)acetic acid;hydroxide
CID 164959041
2-(butylamino)acetic acid;(2S)-2-(cyclohexylamino)propanoic acid
CID 69297250
4-(cyclohexylamino)butanal
CID 140677611
2-(cyclohexylamino)acetic acid;cyclopentanecarboxylic acid
CID 174421767
(2S)-2-(cyclohexylamino)propanoic acid;2-(hexylamino)acetic acid
CID 159723449
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
acetic acid;N-cyclopentadecyl-N',N'-dimethylpropane-1,3-diamine
CID 67913130
4-[2-(cycloheptylamino)ethylsulfamoyl]butanoic acid
CID 115306585
2-[[2-(cyclopentylamino)acetyl]amino]acetic acid
CID 61158187
4-(cyclooctylamino)-2,2-dimethylbutanoic acid
CID 122084393

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylamino)propylamino]acetic acid?
The IUPAC name of 2-[3-(cyclohexylamino)propylamino]acetic acid (CID 172685431) is 2-[3-(cyclohexylamino)propylamino]acetic acid.
What is the SMILES notation for 2-[3-(cyclohexylamino)propylamino]acetic acid?
The canonical SMILES for 2-[3-(cyclohexylamino)propylamino]acetic acid is O=C(O)CNCCCNC1CCCCC1.
What is the InChIKey of 2-[3-(cyclohexylamino)propylamino]acetic acid?
The InChIKey is AYYSFYNAGMEPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c14-11(15)9-12-7-4-8-13-10-5-2-1-3-6-10/h10,12-13H,1-9H2,(H,14,15).
What are the key properties of 2-[3-(cyclohexylamino)propylamino]acetic acid?
2-[3-(cyclohexylamino)propylamino]acetic acid has a molecular weight of 214.31 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylamino)propylamino]acetic acid is sourced from PubChem (CID 172685431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).