3-amino-3-(carboxymethyl)pentanedioic acid;hydrochloride

C7H12ClNO6 — CID 141270736

IUPAC3-amino-3-(carboxymethyl)pentanedioic acid;hydrochloride
SMILESCl.NC(CC(=O)O)(CC(=O)O)CC(=O)O
InChIInChI=1S/C7H11NO6.ClH/c8-7(1-4(9)10,2-5(11)12)3-6(13)14;/h1-3,8H2,(H,9,10)(H,11,12)(H,13,14);1H
InChIKeyFDKWKAIWFBRSEF-UHFFFAOYSA-N
MW241.63 g/mol
LogP-0.47
Rot. Bonds6

About 3-amino-3-(carboxymethyl)pentanedioic acid;hydrochloride

3-amino-3-(carboxymethyl)pentanedioic acid;hydrochloride (PubChem CID 141270736) has the molecular formula C7H12ClNO6 and a molecular weight of 241.63 g/mol. Its IUPAC name is 3-amino-3-(carboxymethyl)pentanedioic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-3-(carboxymethyl)pentanedioic acid;hydrochloride
PubChem CID141270736
Molecular FormulaC7H12ClNO6
Molecular Weight241.63 g/mol
Exact Mass241.04
IUPAC Name3-amino-3-(carboxymethyl)pentanedioic acid;hydrochloride
SMILESCl.NC(CC(=O)O)(CC(=O)O)CC(=O)O
InChIInChI=1S/C7H11NO6.ClH/c8-7(1-4(9)10,2-5(11)12)3-6(13)14;/h1-3,8H2,(H,9,10)(H,11,12)(H,13,14);1H
InChIKeyFDKWKAIWFBRSEF-UHFFFAOYSA-N
XLogP-0.47
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.63
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-diamino-3,5-bis(carboxymethyl)heptanedioic acid
CID 11162546
3-amino-3-carbamoylpentanedioic acid
CID 174790870
3-amino-3-propylhexanoic acid
CID 64665150
3-amino-3,4-dimethylpentanoic acid
CID 53414110
2-amino-2-hydroxybutanedioic acid
CID 10313218
3-amino-3-(methoxymethyl)pentanoic acid
CID 64665153
bis(3,3-dimethylbutanoic acid);hydrochloride
CID 172719072
3-amino-3-(aminomethyl)-4-hydroxypentanoic acid
CID 18940164
2-amino-2-(cyanomethyl)butanedioic acid
CID 19432074
2,2-dimethylbutanedioic acid;hydrochloride
CID 87625816
2-(1,2,3-tricarboxypropan-2-ylamino)propane-1,2,3-tricarboxylic acid
CID 66559167
tetrakis(2-aminoacetic acid);2-amino-2-(hydroxymethyl)propane-1,3-diol
CID 157174364

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(carboxymethyl)pentanedioic acid;hydrochloride?
The IUPAC name of 3-amino-3-(carboxymethyl)pentanedioic acid;hydrochloride (CID 141270736) is 3-amino-3-(carboxymethyl)pentanedioic acid;hydrochloride.
What is the SMILES notation for 3-amino-3-(carboxymethyl)pentanedioic acid;hydrochloride?
The canonical SMILES for 3-amino-3-(carboxymethyl)pentanedioic acid;hydrochloride is Cl.NC(CC(=O)O)(CC(=O)O)CC(=O)O.
What is the InChIKey of 3-amino-3-(carboxymethyl)pentanedioic acid;hydrochloride?
The InChIKey is FDKWKAIWFBRSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO6.ClH/c8-7(1-4(9)10,2-5(11)12)3-6(13)14;/h1-3,8H2,(H,9,10)(H,11,12)(H,13,14);1H.
What are the key properties of 3-amino-3-(carboxymethyl)pentanedioic acid;hydrochloride?
3-amino-3-(carboxymethyl)pentanedioic acid;hydrochloride has a molecular weight of 241.63 g/mol, XLogP of -0.47, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(carboxymethyl)pentanedioic acid;hydrochloride is sourced from PubChem (CID 141270736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).