2-[[2-(aminomethyl)-1,3-dihydroxy-1,3-diphenylpropan-2-yl]-(carboxymethyl)amino]acetic acid

C20H24N2O6 — CID 19418315

IUPAC2-[[2-(aminomethyl)-1,3-dihydroxy-1,3-diphenylpropan-2-yl]-(carboxymethyl)amino]acetic acid
SMILESNCC(C(O)c1ccccc1)(C(O)c1ccccc1)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C20H24N2O6/c21-13-20(18(27)14-7-3-1-4-8-14,19(28)15-9-5-2-6-10-15)22(11-16(23)24)12-17(25)26/h1-10,18-19,27-28H,11-13,21H2,(H,23,24)(H,25,26)
InChIKeyLSIJQMUWCQMKLQ-UHFFFAOYSA-N
MW388.42 g/mol
LogP0.62
Rot. Bonds10

About 2-[[2-(aminomethyl)-1,3-dihydroxy-1,3-diphenylpropan-2-yl]-(carboxymethyl)amino]acetic acid

2-[[2-(aminomethyl)-1,3-dihydroxy-1,3-diphenylpropan-2-yl]-(carboxymethyl)amino]acetic acid (PubChem CID 19418315) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-1,3-dihydroxy-1,3-diphenylpropan-2-yl]-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-1,3-dihydroxy-1,3-diphenylpropan-2-yl]-(carboxymethyl)amino]acetic acid
PubChem CID19418315
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Name2-[[2-(aminomethyl)-1,3-dihydroxy-1,3-diphenylpropan-2-yl]-(carboxymethyl)amino]acetic acid
SMILESNCC(C(O)c1ccccc1)(C(O)c1ccccc1)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C20H24N2O6/c21-13-20(18(27)14-7-3-1-4-8-14,19(28)15-9-5-2-6-10-15)22(11-16(23)24)12-17(25)26/h1-10,18-19,27-28H,11-13,21H2,(H,23,24)(H,25,26)
InChIKeyLSIJQMUWCQMKLQ-UHFFFAOYSA-N
XLogP0.62
TPSA144.32 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 50.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(aminomethyl)-1,3-dihydroxy-1,3-diphenylpropan-2-yl]-(carboxymethyl)amino]acetic acid with MolForge

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Related Compounds

CID 153367732
CID 153367732
bis(2-[N-methyl-4-(3-phenylbutan-2-yl)anilino]acetic acid);nickel
CID 58996037
1-amino-2-phenylethane-1,1,2-triol
CID 69451369
(3-hydroxy-2,2-dimethyl-3-phenylpropyl) carbamate
CID 4639380
(3R)-3-[bis(carboxymethyl)amino]-3-phenylpropanoic acid
CID 7375300
(2S,3S)-2-amino-3-hydroxy-2-methyl-3-phenylpropanamide
CID 11424108
2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid
CID 60832237
(1S)-2-amino-2-methyl-1-phenylpropan-1-ol
CID 38988546
benzhydrylbenzene;2-sulfanylacetic acid
CID 87429481
(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
CID 94888711
[2-aminoethyl-[hydroxy(phenyl)methyl]amino]-phenylmethanol
CID 69166478
phenyl (2R)-2-hydroxy-2-phenylacetate
CID 15685596

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-1,3-dihydroxy-1,3-diphenylpropan-2-yl]-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(aminomethyl)-1,3-dihydroxy-1,3-diphenylpropan-2-yl]-(carboxymethyl)amino]acetic acid (CID 19418315) is 2-[[2-(aminomethyl)-1,3-dihydroxy-1,3-diphenylpropan-2-yl]-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(aminomethyl)-1,3-dihydroxy-1,3-diphenylpropan-2-yl]-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(aminomethyl)-1,3-dihydroxy-1,3-diphenylpropan-2-yl]-(carboxymethyl)amino]acetic acid is NCC(C(O)c1ccccc1)(C(O)c1ccccc1)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[[2-(aminomethyl)-1,3-dihydroxy-1,3-diphenylpropan-2-yl]-(carboxymethyl)amino]acetic acid?
The InChIKey is LSIJQMUWCQMKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c21-13-20(18(27)14-7-3-1-4-8-14,19(28)15-9-5-2-6-10-15)22(11-16(23)24)12-17(25)26/h1-10,18-19,27-28H,11-13,21H2,(H,23,24)(H,25,26).
What are the key properties of 2-[[2-(aminomethyl)-1,3-dihydroxy-1,3-diphenylpropan-2-yl]-(carboxymethyl)amino]acetic acid?
2-[[2-(aminomethyl)-1,3-dihydroxy-1,3-diphenylpropan-2-yl]-(carboxymethyl)amino]acetic acid has a molecular weight of 388.42 g/mol, XLogP of 0.62, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-1,3-dihydroxy-1,3-diphenylpropan-2-yl]-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 19418315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).