2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid

C16H17NO4 — CID 118026822

IUPAC2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid
SMILESC[C@@H](c1cccc2ccccc12)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C16H17NO4/c1-11(17(9-15(18)19)10-16(20)21)13-8-4-6-12-5-2-3-7-14(12)13/h2-8,11H,9-10H2,1H3,(H,18,19)(H,20,21)/t11-/m0/s1
InChIKeyNJDARYPYEKEUCL-NSHDSACASA-N
MW287.31 g/mol
LogP2.37
Rot. Bonds6

About 2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid

2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid (PubChem CID 118026822) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid
PubChem CID118026822
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid
SMILESC[C@@H](c1cccc2ccccc12)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C16H17NO4/c1-11(17(9-15(18)19)10-16(20)21)13-8-4-6-12-5-2-3-7-14(12)13/h2-8,11H,9-10H2,1H3,(H,18,19)(H,20,21)/t11-/m0/s1
InChIKeyNJDARYPYEKEUCL-NSHDSACASA-N
XLogP2.37
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(1-naphthalen-1-ylethyl)amino]-2-methylpropanoic acid
CID 65060972
3-[1-naphthalen-1-ylethyl(propan-2-yl)amino]propanoic acid
CID 65057116
3-naphthalen-1-ylbutanoic acid
CID 43211329
2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid
CID 65063433
1-methyl-1-[(1R)-1-naphthalen-1-ylethyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 101424575
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid
CID 65064982
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine
CID 158376535
N-methyl-N-(1-naphthalen-1-ylethyl)propan-2-amine
CID 22982648
N,N-diethyl-2-naphthalen-1-ylpropanamide
CID 15100949
2-fluoro-3-naphthalen-1-ylbutanoic acid
CID 81357950

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid (CID 118026822) is 2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid is C[C@@H](c1cccc2ccccc12)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid?
The InChIKey is NJDARYPYEKEUCL-NSHDSACASA-N. The full InChI is InChI=1S/C16H17NO4/c1-11(17(9-15(18)19)10-16(20)21)13-8-4-6-12-5-2-3-7-14(12)13/h2-8,11H,9-10H2,1H3,(H,18,19)(H,20,21)/t11-/m0/s1.
What are the key properties of 2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid?
2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid has a molecular weight of 287.31 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid is sourced from PubChem (CID 118026822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).