5-(2-aminoethylamino)-5-oxopentanoic acid;hydrochloride

C7H15ClN2O3 — CID 172550170

IUPAC5-(2-aminoethylamino)-5-oxopentanoic acid;hydrochloride
SMILESCl.NCCNC(=O)CCCC(=O)O
InChIInChI=1S/C7H14N2O3.ClH/c8-4-5-9-6(10)2-1-3-7(11)12;/h1-5,8H2,(H,9,10)(H,11,12);1H
InChIKeyZHHOSKXONQKODQ-UHFFFAOYSA-N
MW210.66 g/mol
LogP-0.26
Rot. Bonds6

About 5-(2-aminoethylamino)-5-oxopentanoic acid;hydrochloride

5-(2-aminoethylamino)-5-oxopentanoic acid;hydrochloride (PubChem CID 172550170) has the molecular formula C7H15ClN2O3 and a molecular weight of 210.66 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-5-oxopentanoic acid;hydrochloride.

Molecular Properties

Compound Name5-(2-aminoethylamino)-5-oxopentanoic acid;hydrochloride
PubChem CID172550170
Molecular FormulaC7H15ClN2O3
Molecular Weight210.66 g/mol
Exact Mass210.08
IUPAC Name5-(2-aminoethylamino)-5-oxopentanoic acid;hydrochloride
SMILESCl.NCCNC(=O)CCCC(=O)O
InChIInChI=1S/C7H14N2O3.ClH/c8-4-5-9-6(10)2-1-3-7(11)12;/h1-5,8H2,(H,9,10)(H,11,12);1H
InChIKeyZHHOSKXONQKODQ-UHFFFAOYSA-N
XLogP-0.26
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

15-(6-aminohexanoylamino)pentadecanoic acid
CID 170598253
8-(8-aminooctanoylamino)octanoic acid
CID 16654921
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
11-(3-aminopropanoylamino)undecanoic acid
CID 170417456
6-(5-aminopentanoylamino)hexanoic acid;ethane
CID 144538701
11-(5-aminopentanoylamino)undecanoic acid;ethane
CID 170598390
N-(2-aminoethyl)hexadecanamide;(Z)-docos-13-enoic acid
CID 174758491
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
N-(2-aminoethyl)-4-[[4-(2-aminoethylamino)-4-oxobutyl]diselanyl]butanamide
CID 11475539
11-(3-aminopropanoylamino)undecanoic acid;ethane
CID 170598343
6-amino-2-[2-(4-carboxybutanoylamino)ethyl]hexanoic acid
CID 123913806

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-5-oxopentanoic acid;hydrochloride?
The IUPAC name of 5-(2-aminoethylamino)-5-oxopentanoic acid;hydrochloride (CID 172550170) is 5-(2-aminoethylamino)-5-oxopentanoic acid;hydrochloride.
What is the SMILES notation for 5-(2-aminoethylamino)-5-oxopentanoic acid;hydrochloride?
The canonical SMILES for 5-(2-aminoethylamino)-5-oxopentanoic acid;hydrochloride is Cl.NCCNC(=O)CCCC(=O)O.
What is the InChIKey of 5-(2-aminoethylamino)-5-oxopentanoic acid;hydrochloride?
The InChIKey is ZHHOSKXONQKODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3.ClH/c8-4-5-9-6(10)2-1-3-7(11)12;/h1-5,8H2,(H,9,10)(H,11,12);1H.
What are the key properties of 5-(2-aminoethylamino)-5-oxopentanoic acid;hydrochloride?
5-(2-aminoethylamino)-5-oxopentanoic acid;hydrochloride has a molecular weight of 210.66 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-5-oxopentanoic acid;hydrochloride is sourced from PubChem (CID 172550170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).