3-[[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylcarbamoyl]amino]propanoic acid

C20H26N2O5 — CID 122018992

IUPAC3-[[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylcarbamoyl]amino]propanoic acid
SMILESCC(C)N(CC(O)COc1cccc2ccccc12)C(=O)NCCC(=O)O
InChIInChI=1S/C20H26N2O5/c1-14(2)22(20(26)21-11-10-19(24)25)12-16(23)13-27-18-9-5-7-15-6-3-4-8-17(15)18/h3-9,14,16,23H,10-13H2,1-2H3,(H,21,26)(H,24,25)
InChIKeyCCNAWVFUXOLFDF-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.47
Rot. Bonds9

About 3-[[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylcarbamoyl]amino]propanoic acid

3-[[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylcarbamoyl]amino]propanoic acid (PubChem CID 122018992) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylcarbamoyl]amino]propanoic acid
PubChem CID122018992
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name3-[[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylcarbamoyl]amino]propanoic acid
SMILESCC(C)N(CC(O)COc1cccc2ccccc12)C(=O)NCCC(=O)O
InChIInChI=1S/C20H26N2O5/c1-14(2)22(20(26)21-11-10-19(24)25)12-16(23)13-27-18-9-5-7-15-6-3-4-8-17(15)18/h3-9,14,16,23H,10-13H2,1-2H3,(H,21,26)(H,24,25)
InChIKeyCCNAWVFUXOLFDF-UHFFFAOYSA-N
XLogP2.47
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylcarbamoyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-(2-phenylethyl)-1-propan-2-ylurea
CID 52521276
4-(dihydroxyamino)oxy-N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylbutanamide
CID 89013616
9H-fluoren-9-ylmethyl N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylcarbamate
CID 18680042
N-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3,5-dinitro-N-propan-2-ylbenzamide
CID 165341790
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;octadecanoic acid
CID 70496276
2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylamino]acetonitrile
CID 110929469
1-[2,2-diethoxyethyl(propan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 21416658
(2S)-1-[2-methylsulfanylethyl(propan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 54556253
1-[1,1,1,2,3,3,3-heptadeuteriopropan-2-yl-(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 162641225
methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate
CID 15578577
1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea
CID 95281049
1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride
CID 13120361

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylcarbamoyl]amino]propanoic acid (CID 122018992) is 3-[[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylcarbamoyl]amino]propanoic acid is CC(C)N(CC(O)COc1cccc2ccccc12)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylcarbamoyl]amino]propanoic acid?
The InChIKey is CCNAWVFUXOLFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-14(2)22(20(26)21-11-10-19(24)25)12-16(23)13-27-18-9-5-7-15-6-3-4-8-17(15)18/h3-9,14,16,23H,10-13H2,1-2H3,(H,21,26)(H,24,25).
What are the key properties of 3-[[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylcarbamoyl]amino]propanoic acid?
3-[[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylcarbamoyl]amino]propanoic acid has a molecular weight of 374.44 g/mol, XLogP of 2.47, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 122018992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).