ethyl (2S)-2-(naphthalen-1-ylamino)propanoate

C15H17NO2 — CID 67181959

IUPACethyl (2S)-2-(naphthalen-1-ylamino)propanoate
SMILESCCOC(=O)[C@H](C)Nc1cccc2ccccc12
InChIInChI=1S/C15H17NO2/c1-3-18-15(17)11(2)16-14-10-6-8-12-7-4-5-9-13(12)14/h4-11,16H,3H2,1-2H3/t11-/m0/s1
InChIKeyZFUFPVUXXQFSEN-NSHDSACASA-N
MW243.31 g/mol
LogP3.20
Rot. Bonds4

About ethyl (2S)-2-(naphthalen-1-ylamino)propanoate

ethyl (2S)-2-(naphthalen-1-ylamino)propanoate (PubChem CID 67181959) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is ethyl (2S)-2-(naphthalen-1-ylamino)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(naphthalen-1-ylamino)propanoate
PubChem CID67181959
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Nameethyl (2S)-2-(naphthalen-1-ylamino)propanoate
SMILESCCOC(=O)[C@H](C)Nc1cccc2ccccc12
InChIInChI=1S/C15H17NO2/c1-3-18-15(17)11(2)16-14-10-6-8-12-7-4-5-9-13(12)14/h4-11,16H,3H2,1-2H3/t11-/m0/s1
InChIKeyZFUFPVUXXQFSEN-NSHDSACASA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 532088
CID 532088
CID 78898
CID 78898
CID 282484
CID 282484
CID 76237
CID 76237
CID 272832
CID 272832
CID 622585
CID 622585
CID 302673
CID 302673
CID 202191
CID 202191
CID 457448
CID 457448
CID 18602768
CID 18602768
CID 13435883
CID 13435883
CID 302669
CID 302669

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(naphthalen-1-ylamino)propanoate?
The IUPAC name of ethyl (2S)-2-(naphthalen-1-ylamino)propanoate (CID 67181959) is ethyl (2S)-2-(naphthalen-1-ylamino)propanoate.
What is the SMILES notation for ethyl (2S)-2-(naphthalen-1-ylamino)propanoate?
The canonical SMILES for ethyl (2S)-2-(naphthalen-1-ylamino)propanoate is CCOC(=O)[C@H](C)Nc1cccc2ccccc12.
What is the InChIKey of ethyl (2S)-2-(naphthalen-1-ylamino)propanoate?
The InChIKey is ZFUFPVUXXQFSEN-NSHDSACASA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-18-15(17)11(2)16-14-10-6-8-12-7-4-5-9-13(12)14/h4-11,16H,3H2,1-2H3/t11-/m0/s1.
What are the key properties of ethyl (2S)-2-(naphthalen-1-ylamino)propanoate?
ethyl (2S)-2-(naphthalen-1-ylamino)propanoate has a molecular weight of 243.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(naphthalen-1-ylamino)propanoate is sourced from PubChem (CID 67181959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).