2-[carboxymethyl(1-hydroxybutan-2-yl)amino]acetic acid

C8H15NO5 — CID 15465224

IUPAC2-[carboxymethyl(1-hydroxybutan-2-yl)amino]acetic acid
SMILESCCC(CO)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H15NO5/c1-2-6(5-10)9(3-7(11)12)4-8(13)14/h6,10H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyNQJCZSXETPQMCK-UHFFFAOYSA-N
MW205.21 g/mol
LogP-0.77
Rot. Bonds7

About 2-[carboxymethyl(1-hydroxybutan-2-yl)amino]acetic acid

2-[carboxymethyl(1-hydroxybutan-2-yl)amino]acetic acid (PubChem CID 15465224) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-[carboxymethyl(1-hydroxybutan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(1-hydroxybutan-2-yl)amino]acetic acid
PubChem CID15465224
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-[carboxymethyl(1-hydroxybutan-2-yl)amino]acetic acid
SMILESCCC(CO)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H15NO5/c1-2-6(5-10)9(3-7(11)12)4-8(13)14/h6,10H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyNQJCZSXETPQMCK-UHFFFAOYSA-N
XLogP-0.77
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxybutyl)iminodiacetic acid
CID 23422580
Tris(carboxymethyl)-(1-carboxypropyl)azanium
CID 54558405
2-[Bis(carboxymethyl)amino]butanoic acid
CID 22935674
(2S)-2-[methyl-(1,1,1-trifluoro-4-hydroxybutan-2-yl)amino]propanoic acid
CID 134423704
2-[Methyl-(1,1,1-trifluoro-4-hydroxybutan-2-yl)amino]propanoic acid
CID 145202628
glycine, N-(2-hydroxyethyl)-N-(1-methylethyl)-
CID 643451
N-(1,3-dihydroxy-2-methyl-2-propyl)iminodiacetic acid
CID 23422380
N-(1,3-dihydroxy-2-ethyl-2-propyl)iminodiacetic acid
CID 23422381
2-[2,2-Difluoroethyl(2-hydroxyethyl)amino]butanoic acid
CID 107480760
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 107480869
[(2-Hydroxy-1,1-dimethylethyl)imino]diacetic acid
CID 219632
2-[Bis(1-carboxyethyl)amino]propanoic acid
CID 9859464

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(1-hydroxybutan-2-yl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(1-hydroxybutan-2-yl)amino]acetic acid (CID 15465224) is 2-[carboxymethyl(1-hydroxybutan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(1-hydroxybutan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(1-hydroxybutan-2-yl)amino]acetic acid is CCC(CO)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(1-hydroxybutan-2-yl)amino]acetic acid?
The InChIKey is NQJCZSXETPQMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-2-6(5-10)9(3-7(11)12)4-8(13)14/h6,10H,2-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[carboxymethyl(1-hydroxybutan-2-yl)amino]acetic acid?
2-[carboxymethyl(1-hydroxybutan-2-yl)amino]acetic acid has a molecular weight of 205.21 g/mol, XLogP of -0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(1-hydroxybutan-2-yl)amino]acetic acid is sourced from PubChem (CID 15465224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).