ethyl (2R)-2-(3-chloropropylamino)propanoate

C8H16ClNO2 — CID 58382925

IUPACethyl (2R)-2-(3-chloropropylamino)propanoate
SMILESCCOC(=O)[C@@H](C)NCCCCl
InChIInChI=1S/C8H16ClNO2/c1-3-12-8(11)7(2)10-6-4-5-9/h7,10H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyHOFCVPNPEAGCKN-SSDOTTSWSA-N
MW193.67 g/mol
LogP1.16
Rot. Bonds6

About ethyl (2R)-2-(3-chloropropylamino)propanoate

ethyl (2R)-2-(3-chloropropylamino)propanoate (PubChem CID 58382925) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is ethyl (2R)-2-(3-chloropropylamino)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(3-chloropropylamino)propanoate
PubChem CID58382925
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Nameethyl (2R)-2-(3-chloropropylamino)propanoate
SMILESCCOC(=O)[C@@H](C)NCCCCl
InChIInChI=1S/C8H16ClNO2/c1-3-12-8(11)7(2)10-6-4-5-9/h7,10H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyHOFCVPNPEAGCKN-SSDOTTSWSA-N
XLogP1.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(heptylamino)propanoate
CID 61498650
ethyl 2-(hexylamino)propanoate
CID 13388952
benzyl acetate;ethyl (2R)-2-(3-chloropropylamino)propanoate
CID 123334290
ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate
CID 63890128
5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid
CID 87941374
ethyl 2-(4,4,4-trifluorobutylamino)propanoate
CID 79040997
ethyl 2-(pent-4-ynylamino)propanoate
CID 115664090
CID 172703702
CID 172703702
ethyl (2S)-2-(2-ethoxyethylamino)propanoate
CID 88726187
methyl 2-(tetradecylamino)propanoate
CID 174995791
methyl 2-(octylamino)propanoate
CID 60780709
ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate
CID 64580670

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(3-chloropropylamino)propanoate?
The IUPAC name of ethyl (2R)-2-(3-chloropropylamino)propanoate (CID 58382925) is ethyl (2R)-2-(3-chloropropylamino)propanoate.
What is the SMILES notation for ethyl (2R)-2-(3-chloropropylamino)propanoate?
The canonical SMILES for ethyl (2R)-2-(3-chloropropylamino)propanoate is CCOC(=O)[C@@H](C)NCCCCl.
What is the InChIKey of ethyl (2R)-2-(3-chloropropylamino)propanoate?
The InChIKey is HOFCVPNPEAGCKN-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16ClNO2/c1-3-12-8(11)7(2)10-6-4-5-9/h7,10H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of ethyl (2R)-2-(3-chloropropylamino)propanoate?
ethyl (2R)-2-(3-chloropropylamino)propanoate has a molecular weight of 193.67 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(3-chloropropylamino)propanoate is sourced from PubChem (CID 58382925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).