methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoate

C13H16N2O4 — CID 107222792

IUPACmethyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C13H16N2O4/c1-19-13(18)11(16)7-14-12(17)10-6-8-4-2-3-5-9(8)15-10/h2-5,10-11,15-16H,6-7H2,1H3,(H,14,17)/t10-,11?/m0/s1
InChIKeyBIKBNHVUYKFXCL-VUWPPUDQSA-N
MW264.28 g/mol
LogP-0.33
Rot. Bonds4

About methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoate

methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoate (PubChem CID 107222792) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoate
PubChem CID107222792
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C13H16N2O4/c1-19-13(18)11(16)7-14-12(17)10-6-8-4-2-3-5-9(8)15-10/h2-5,10-11,15-16H,6-7H2,1H3,(H,14,17)/t10-,11?/m0/s1
InChIKeyBIKBNHVUYKFXCL-VUWPPUDQSA-N
XLogP-0.33
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoic acid
CID 66167597
(2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 64599096
3-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpropanoic acid
CID 54462725
(2S)-N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 66089072
2-[[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]methyl]butanoic acid
CID 65224491
2-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]butanoic acid
CID 77061382
methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride
CID 67874407
N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892809
3-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]pentanoic acid
CID 81072634
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
N-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76929615
(2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 65106564

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoate (CID 107222792) is methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoate?
The InChIKey is BIKBNHVUYKFXCL-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-13(18)11(16)7-14-12(17)10-6-8-4-2-3-5-9(8)15-10/h2-5,10-11,15-16H,6-7H2,1H3,(H,14,17)/t10-,11?/m0/s1.
What are the key properties of methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoate?
methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoate has a molecular weight of 264.28 g/mol, XLogP of -0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoate is sourced from PubChem (CID 107222792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).