methyl (2R)-2-[[(2S)-2-aminopropanoyl]-benzylamino]butanoate

C15H22N2O3 — CID 171572065

IUPACmethyl (2R)-2-[[(2S)-2-aminopropanoyl]-benzylamino]butanoate
SMILESCC[C@H](C(=O)OC)N(Cc1ccccc1)C(=O)[C@H](C)N
InChIInChI=1S/C15H22N2O3/c1-4-13(15(19)20-3)17(14(18)11(2)16)10-12-8-6-5-7-9-12/h5-9,11,13H,4,10,16H2,1-3H3/t11-,13+/m0/s1
InChIKeyZLWZLNFGDGBMTR-WCQYABFASA-N
MW278.35 g/mol
LogP1.31
Rot. Bonds6

About methyl (2R)-2-[[(2S)-2-aminopropanoyl]-benzylamino]butanoate

methyl (2R)-2-[[(2S)-2-aminopropanoyl]-benzylamino]butanoate (PubChem CID 171572065) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl (2R)-2-[[(2S)-2-aminopropanoyl]-benzylamino]butanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[(2S)-2-aminopropanoyl]-benzylamino]butanoate
PubChem CID171572065
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl (2R)-2-[[(2S)-2-aminopropanoyl]-benzylamino]butanoate
SMILESCC[C@H](C(=O)OC)N(Cc1ccccc1)C(=O)[C@H](C)N
InChIInChI=1S/C15H22N2O3/c1-4-13(15(19)20-3)17(14(18)11(2)16)10-12-8-6-5-7-9-12/h5-9,11,13H,4,10,16H2,1-3H3/t11-,13+/m0/s1
InChIKeyZLWZLNFGDGBMTR-WCQYABFASA-N
XLogP1.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-aminopropanoyl(benzyl)amino]propanoate
CID 76625736
methyl (2S)-2-[benzyl-(2-bromo-2-phenylacetyl)amino]-4-methylpentanoate
CID 122222125
2-[benzyl-[2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid
CID 134519580
methyl (2S)-2-[acetyl(benzyl)amino]propanoate
CID 75437880
methyl 2-[benzyl-(2-chloroacetyl)amino]-3-chloropropanoate
CID 10063590
methyl (2S)-2-(dibenzylamino)-4-methylpentanoate
CID 54055592
benzyl-[(2S)-1-methoxy-1-oxo-4-propan-2-ylsulfanylbutan-2-yl]carbamic acid
CID 67418082
methyl (2S)-2-(N-benzyl-4-phenoxyanilino)butanoate
CID 169324705
2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide
CID 62473405
benzyl(butan-2-yl)carbamic acid
CID 18954164
N-benzyl-2-methoxy-N-propan-2-ylpropanamide
CID 115588172
methyl 2-[benzyl(methyl)amino]-3-methylpentanoate
CID 146455513

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(2S)-2-aminopropanoyl]-benzylamino]butanoate?
The IUPAC name of methyl (2R)-2-[[(2S)-2-aminopropanoyl]-benzylamino]butanoate (CID 171572065) is methyl (2R)-2-[[(2S)-2-aminopropanoyl]-benzylamino]butanoate.
What is the SMILES notation for methyl (2R)-2-[[(2S)-2-aminopropanoyl]-benzylamino]butanoate?
The canonical SMILES for methyl (2R)-2-[[(2S)-2-aminopropanoyl]-benzylamino]butanoate is CC[C@H](C(=O)OC)N(Cc1ccccc1)C(=O)[C@H](C)N.
What is the InChIKey of methyl (2R)-2-[[(2S)-2-aminopropanoyl]-benzylamino]butanoate?
The InChIKey is ZLWZLNFGDGBMTR-WCQYABFASA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-13(15(19)20-3)17(14(18)11(2)16)10-12-8-6-5-7-9-12/h5-9,11,13H,4,10,16H2,1-3H3/t11-,13+/m0/s1.
What are the key properties of methyl (2R)-2-[[(2S)-2-aminopropanoyl]-benzylamino]butanoate?
methyl (2R)-2-[[(2S)-2-aminopropanoyl]-benzylamino]butanoate has a molecular weight of 278.35 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[(2S)-2-aminopropanoyl]-benzylamino]butanoate is sourced from PubChem (CID 171572065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).