ethyl (4S)-4-amino-5-phenylpentanoate

C13H19NO2 — CID 46237823

IUPACethyl (4S)-4-amino-5-phenylpentanoate
SMILESCCOC(=O)CC[C@H](N)Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-2-16-13(15)9-8-12(14)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10,14H2,1H3/t12-/m0/s1
InChIKeyMFDPJBJAYREEIC-LBPRGKRZSA-N
MW221.30 g/mol
LogP1.90
Rot. Bonds6

About ethyl (4S)-4-amino-5-phenylpentanoate

ethyl (4S)-4-amino-5-phenylpentanoate (PubChem CID 46237823) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is ethyl (4S)-4-amino-5-phenylpentanoate.

Molecular Properties

Compound Nameethyl (4S)-4-amino-5-phenylpentanoate
PubChem CID46237823
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameethyl (4S)-4-amino-5-phenylpentanoate
SMILESCCOC(=O)CC[C@H](N)Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-2-16-13(15)9-8-12(14)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10,14H2,1H3/t12-/m0/s1
InChIKeyMFDPJBJAYREEIC-LBPRGKRZSA-N
XLogP1.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-6-phenylhexan-2-one
CID 90094782
ethyl 4-methylpentanoate;ethyl 3-phenylpropanoate
CID 174922594
1-O,1-O-dibenzyl 3-O-ethyl propane-1,1,3-tricarboxylate
CID 101179268
5-O-benzyl 1-O-ethyl (2R)-2-aminopentanedioate
CID 57177294
(4S)-4-amino-5-phenylpentanamide;hydrochloride
CID 137464473
benzyl-(3-ethoxy-3-oxopropyl)-diphenylphosphanium
CID 6332715
ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119281055
methyl 4-amino-5-(4-methylphenyl)pentanoate
CID 62960950
methyl 10-amino-11-phenylundecanoate;hydrochloride
CID 141254127
4-amino-7-ethoxy-7-oxoheptanoic acid
CID 87355046
diethyl (2S)-2-benzylbutanedioate
CID 24748926
ethyl 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]butanoate;hydrochloride
CID 119290928

Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-4-amino-5-phenylpentanoate?
The IUPAC name of ethyl (4S)-4-amino-5-phenylpentanoate (CID 46237823) is ethyl (4S)-4-amino-5-phenylpentanoate.
What is the SMILES notation for ethyl (4S)-4-amino-5-phenylpentanoate?
The canonical SMILES for ethyl (4S)-4-amino-5-phenylpentanoate is CCOC(=O)CC[C@H](N)Cc1ccccc1.
What is the InChIKey of ethyl (4S)-4-amino-5-phenylpentanoate?
The InChIKey is MFDPJBJAYREEIC-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-16-13(15)9-8-12(14)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10,14H2,1H3/t12-/m0/s1.
What are the key properties of ethyl (4S)-4-amino-5-phenylpentanoate?
ethyl (4S)-4-amino-5-phenylpentanoate has a molecular weight of 221.30 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-4-amino-5-phenylpentanoate is sourced from PubChem (CID 46237823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).