ethyl 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetate

C16H20N2O3 — CID 76894982

IUPACethyl 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)C1Cc2ccccc2N1)C1CC1
InChIInChI=1S/C16H20N2O3/c1-2-21-15(19)10-18(12-7-8-12)16(20)14-9-11-5-3-4-6-13(11)17-14/h3-6,12,14,17H,2,7-10H2,1H3
InChIKeyHEGCMUSHAPDPJV-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.58
Rot. Bonds5

About ethyl 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetate

ethyl 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetate (PubChem CID 76894982) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetate
PubChem CID76894982
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Nameethyl 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)C1Cc2ccccc2N1)C1CC1
InChIInChI=1S/C16H20N2O3/c1-2-21-15(19)10-18(12-7-8-12)16(20)14-9-11-5-3-4-6-13(11)17-14/h3-6,12,14,17H,2,7-10H2,1H3
InChIKeyHEGCMUSHAPDPJV-UHFFFAOYSA-N
XLogP1.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155358
ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate
CID 76894068
2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetic acid
CID 76894224
N-cyclopropyl-N-propyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893036
CID 159251036
CID 159251036
ethyl 2,3-dihydro-1H-indole-2-carboxylate;tetrachlorostannane;hydrochloride
CID 70480202
N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893209
(2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155725
1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one
CID 67580634
N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482
N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76894026
N-ethyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892548

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetate (CID 76894982) is ethyl 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetate is CCOC(=O)CN(C(=O)C1Cc2ccccc2N1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetate?
The InChIKey is HEGCMUSHAPDPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-21-15(19)10-18(12-7-8-12)16(20)14-9-11-5-3-4-6-13(11)17-14/h3-6,12,14,17H,2,7-10H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetate?
ethyl 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetate has a molecular weight of 288.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetate is sourced from PubChem (CID 76894982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).