ethyl 3-[[(2R)-1-phenylmethoxypropan-2-yl]amino]propanoate

C15H23NO3 — CID 175699812

IUPACethyl 3-[[(2R)-1-phenylmethoxypropan-2-yl]amino]propanoate
SMILESCCOC(=O)CCN[C@H](C)COCc1ccccc1
InChIInChI=1S/C15H23NO3/c1-3-19-15(17)9-10-16-13(2)11-18-12-14-7-5-4-6-8-14/h4-8,13,16H,3,9-12H2,1-2H3/t13-/m1/s1
InChIKeyPKPJFRWNUWPNHT-CYBMUJFWSA-N
MW265.35 g/mol
LogP2.13
Rot. Bonds9

About ethyl 3-[[(2R)-1-phenylmethoxypropan-2-yl]amino]propanoate

ethyl 3-[[(2R)-1-phenylmethoxypropan-2-yl]amino]propanoate (PubChem CID 175699812) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 3-[[(2R)-1-phenylmethoxypropan-2-yl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[(2R)-1-phenylmethoxypropan-2-yl]amino]propanoate
PubChem CID175699812
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 3-[[(2R)-1-phenylmethoxypropan-2-yl]amino]propanoate
SMILESCCOC(=O)CCN[C@H](C)COCc1ccccc1
InChIInChI=1S/C15H23NO3/c1-3-19-15(17)9-10-16-13(2)11-18-12-14-7-5-4-6-8-14/h4-8,13,16H,3,9-12H2,1-2H3/t13-/m1/s1
InChIKeyPKPJFRWNUWPNHT-CYBMUJFWSA-N
XLogP2.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 24773124
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ethyl 3-[1-(4-methylphenoxy)propan-2-ylamino]propanoate
CID 61168707
4-(methylamino)-N-(1-phenylmethoxypropan-2-yl)butanamide
CID 119804040
2-amino-N-(1-phenylmethoxypropan-2-yl)acetamide
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CID 64974453
(2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride
CID 119335271
ethyl (5S)-5-methyl-9-(phenylmethoxycarbonylamino)nonanoate
CID 158070429
1-O,1-O-dibenzyl 3-O-ethyl propane-1,1,3-tricarboxylate
CID 101179268
3-methyl-N-(1-phenylmethoxypropan-2-yl)but-2-en-1-amine
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CID 11253675

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(2R)-1-phenylmethoxypropan-2-yl]amino]propanoate?
The IUPAC name of ethyl 3-[[(2R)-1-phenylmethoxypropan-2-yl]amino]propanoate (CID 175699812) is ethyl 3-[[(2R)-1-phenylmethoxypropan-2-yl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[(2R)-1-phenylmethoxypropan-2-yl]amino]propanoate?
The canonical SMILES for ethyl 3-[[(2R)-1-phenylmethoxypropan-2-yl]amino]propanoate is CCOC(=O)CCN[C@H](C)COCc1ccccc1.
What is the InChIKey of ethyl 3-[[(2R)-1-phenylmethoxypropan-2-yl]amino]propanoate?
The InChIKey is PKPJFRWNUWPNHT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-19-15(17)9-10-16-13(2)11-18-12-14-7-5-4-6-8-14/h4-8,13,16H,3,9-12H2,1-2H3/t13-/m1/s1.
What are the key properties of ethyl 3-[[(2R)-1-phenylmethoxypropan-2-yl]amino]propanoate?
ethyl 3-[[(2R)-1-phenylmethoxypropan-2-yl]amino]propanoate has a molecular weight of 265.35 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[(2R)-1-phenylmethoxypropan-2-yl]amino]propanoate is sourced from PubChem (CID 175699812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).