2-[carboxymethyl(heptan-3-yl)amino]acetic acid

C11H21NO4 — CID 65065837

IUPAC2-[carboxymethyl(heptan-3-yl)amino]acetic acid
SMILESCCCCC(CC)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H21NO4/c1-3-5-6-9(4-2)12(7-10(13)14)8-11(15)16/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeySBDYQYMUJSSBGY-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.43
Rot. Bonds9

About 2-[carboxymethyl(heptan-3-yl)amino]acetic acid

2-[carboxymethyl(heptan-3-yl)amino]acetic acid (PubChem CID 65065837) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-[carboxymethyl(heptan-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(heptan-3-yl)amino]acetic acid
PubChem CID65065837
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-[carboxymethyl(heptan-3-yl)amino]acetic acid
SMILESCCCCC(CC)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H21NO4/c1-3-5-6-9(4-2)12(7-10(13)14)8-11(15)16/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeySBDYQYMUJSSBGY-UHFFFAOYSA-N
XLogP1.43
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[heptan-3-yl(propyl)amino]acetic acid
CID 65064698
2-[cyclopropyl(heptan-3-yl)amino]acetic acid
CID 65058172
3-(dimethylamino)heptanoic acid
CID 64527773
2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]butyl]amino]acetic acid
CID 23422364
2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine
CID 170537476
3-[ethyl(heptan-3-yl)amino]propan-1-ol
CID 88539912
2-[pentan-3-yl(prop-2-ynyl)amino]acetic acid
CID 79286450
2-[pentyl(1-phenylethyl)amino]acetic acid
CID 70551743
2-[2-(dimethylamino)ethyl-heptan-2-ylamino]acetic acid
CID 107426142
tributyl(carboxymethyl)phosphanium;hydrochloride
CID 87779051
(2S)-2-[bis(carboxymethyl)amino]butanoic acid
CID 18664115
2-[bis(carboxymethyl)amino]butanoic acid
CID 22935674

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(heptan-3-yl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(heptan-3-yl)amino]acetic acid (CID 65065837) is 2-[carboxymethyl(heptan-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(heptan-3-yl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(heptan-3-yl)amino]acetic acid is CCCCC(CC)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(heptan-3-yl)amino]acetic acid?
The InChIKey is SBDYQYMUJSSBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-3-5-6-9(4-2)12(7-10(13)14)8-11(15)16/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[carboxymethyl(heptan-3-yl)amino]acetic acid?
2-[carboxymethyl(heptan-3-yl)amino]acetic acid has a molecular weight of 231.29 g/mol, XLogP of 1.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(heptan-3-yl)amino]acetic acid is sourced from PubChem (CID 65065837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).