2-hydroxypropanoic acid;propan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate

C17H24N2O5 — CID 85471050

IUPAC2-hydroxypropanoic acid;propan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate
SMILESCC(C)OC(=O)C(N)Cc1c[nH]c2ccccc12.CC(O)C(=O)O
InChIInChI=1S/C14H18N2O2.C3H6O3/c1-9(2)18-14(17)12(15)7-10-8-16-13-6-4-3-5-11(10)13;1-2(4)3(5)6/h3-6,8-9,12,16H,7,15H2,1-2H3;2,4H,1H3,(H,5,6)
InChIKeyUUOIUYMESKZLCA-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.44
Rot. Bonds5

About 2-hydroxypropanoic acid;propan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate

2-hydroxypropanoic acid;propan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate (PubChem CID 85471050) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-hydroxypropanoic acid;propan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name2-hydroxypropanoic acid;propan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate
PubChem CID85471050
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name2-hydroxypropanoic acid;propan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate
SMILESCC(C)OC(=O)C(N)Cc1c[nH]c2ccccc12.CC(O)C(=O)O
InChIInChI=1S/C14H18N2O2.C3H6O3/c1-9(2)18-14(17)12(15)7-10-8-16-13-6-4-3-5-11(10)13;1-2(4)3(5)6/h3-6,8-9,12,16H,7,15H2,1-2H3;2,4H,1H3,(H,5,6)
InChIKeyUUOIUYMESKZLCA-UHFFFAOYSA-N
XLogP1.44
TPSA125.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
CID 19078905
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
1-methoxypropan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate
CID 114351164
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306
2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
CID 86010535
CID 70188356
CID 70188356
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
CID 175305655
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl] (2S)-2-amino-4-methylpentanoate
CID 54443221
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454
acetaldehyde;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 88778377

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoic acid;propan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate?
The IUPAC name of 2-hydroxypropanoic acid;propan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate (CID 85471050) is 2-hydroxypropanoic acid;propan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for 2-hydroxypropanoic acid;propan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate?
The canonical SMILES for 2-hydroxypropanoic acid;propan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate is CC(C)OC(=O)C(N)Cc1c[nH]c2ccccc12.CC(O)C(=O)O.
What is the InChIKey of 2-hydroxypropanoic acid;propan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate?
The InChIKey is UUOIUYMESKZLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.C3H6O3/c1-9(2)18-14(17)12(15)7-10-8-16-13-6-4-3-5-11(10)13;1-2(4)3(5)6/h3-6,8-9,12,16H,7,15H2,1-2H3;2,4H,1H3,(H,5,6).
What are the key properties of 2-hydroxypropanoic acid;propan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate?
2-hydroxypropanoic acid;propan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate has a molecular weight of 336.39 g/mol, XLogP of 1.44, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoic acid;propan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 85471050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).