2-aminoacetic acid;cyclohexylmethyl (2S)-2-(2,6-dimethylanilino)propanoate

C20H32N2O4 — CID 70568702

IUPAC2-aminoacetic acid;cyclohexylmethyl (2S)-2-(2,6-dimethylanilino)propanoate
SMILESCc1cccc(C)c1N[C@@H](C)C(=O)OCC1CCCCC1.NCC(=O)O
InChIInChI=1S/C18H27NO2.C2H5NO2/c1-13-8-7-9-14(2)17(13)19-15(3)18(20)21-12-16-10-5-4-6-11-16;3-1-2(4)5/h7-9,15-16,19H,4-6,10-12H2,1-3H3;1,3H2,(H,4,5)/t15-;/m0./s1
InChIKeyRSHVHZMIPUWRSX-RSAXXLAASA-N
MW364.49 g/mol
LogP3.26
Rot. Bonds6

About 2-aminoacetic acid;cyclohexylmethyl (2S)-2-(2,6-dimethylanilino)propanoate

2-aminoacetic acid;cyclohexylmethyl (2S)-2-(2,6-dimethylanilino)propanoate (PubChem CID 70568702) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-aminoacetic acid;cyclohexylmethyl (2S)-2-(2,6-dimethylanilino)propanoate.

Molecular Properties

Compound Name2-aminoacetic acid;cyclohexylmethyl (2S)-2-(2,6-dimethylanilino)propanoate
PubChem CID70568702
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name2-aminoacetic acid;cyclohexylmethyl (2S)-2-(2,6-dimethylanilino)propanoate
SMILESCc1cccc(C)c1N[C@@H](C)C(=O)OCC1CCCCC1.NCC(=O)O
InChIInChI=1S/C18H27NO2.C2H5NO2/c1-13-8-7-9-14(2)17(13)19-15(3)18(20)21-12-16-10-5-4-6-11-16;3-1-2(4)5/h7-9,15-16,19H,4-6,10-12H2,1-3H3;1,3H2,(H,4,5)/t15-;/m0./s1
InChIKeyRSHVHZMIPUWRSX-RSAXXLAASA-N
XLogP3.26
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexylmethyl 2-(2,6-diethylanilino)propanoate
CID 20574859
2-aminoacetic acid;2-chloroethyl (2S)-2-(2,6-dimethylanilino)propanoate
CID 70566463
cyclopropylmethyl 2-(2,6-diethylanilino)propanoate
CID 20574854
2-aminoacetic acid;prop-2-enyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 70567030
cyclohexylmethyl (2S)-2-phenylpropanoate
CID 134967383
2,2,2-trichloroethyl (2S)-2-(2,6-dimethylanilino)propanoate
CID 54313943
2-aminoacetic acid;(1-ethoxy-1-oxopropan-2-yl) (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 70568965
cyclohexylmethyl (2R)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 25499350
(2S)-2-(2,6-dimethylanilino)propanamide
CID 89462597
2-[3-(cyclohexylmethoxy)phenoxy]propylcarbamic acid
CID 68856997
(2-methoxyacetyl) (2R)-2-(2,6-dimethylanilino)propanoate
CID 139835218
cyclopentylmethyl 2-amino-6-methylbenzoate
CID 61343221

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;cyclohexylmethyl (2S)-2-(2,6-dimethylanilino)propanoate?
The IUPAC name of 2-aminoacetic acid;cyclohexylmethyl (2S)-2-(2,6-dimethylanilino)propanoate (CID 70568702) is 2-aminoacetic acid;cyclohexylmethyl (2S)-2-(2,6-dimethylanilino)propanoate.
What is the SMILES notation for 2-aminoacetic acid;cyclohexylmethyl (2S)-2-(2,6-dimethylanilino)propanoate?
The canonical SMILES for 2-aminoacetic acid;cyclohexylmethyl (2S)-2-(2,6-dimethylanilino)propanoate is Cc1cccc(C)c1N[C@@H](C)C(=O)OCC1CCCCC1.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;cyclohexylmethyl (2S)-2-(2,6-dimethylanilino)propanoate?
The InChIKey is RSHVHZMIPUWRSX-RSAXXLAASA-N. The full InChI is InChI=1S/C18H27NO2.C2H5NO2/c1-13-8-7-9-14(2)17(13)19-15(3)18(20)21-12-16-10-5-4-6-11-16;3-1-2(4)5/h7-9,15-16,19H,4-6,10-12H2,1-3H3;1,3H2,(H,4,5)/t15-;/m0./s1.
What are the key properties of 2-aminoacetic acid;cyclohexylmethyl (2S)-2-(2,6-dimethylanilino)propanoate?
2-aminoacetic acid;cyclohexylmethyl (2S)-2-(2,6-dimethylanilino)propanoate has a molecular weight of 364.49 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;cyclohexylmethyl (2S)-2-(2,6-dimethylanilino)propanoate is sourced from PubChem (CID 70568702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).