ethyl (2S)-3-[[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoate

C12H24N2O3 — CID 97334966

IUPACethyl (2S)-3-[[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoate
SMILESCCOC(=O)[C@@H](C)CNC(=O)N(CC)C(C)C
InChIInChI=1S/C12H24N2O3/c1-6-14(9(3)4)12(16)13-8-10(5)11(15)17-7-2/h9-10H,6-8H2,1-5H3,(H,13,16)/t10-/m0/s1
InChIKeyQFRCZTQUPKOWNR-JTQLQIEISA-N
MW244.33 g/mol
LogP1.63
Rot. Bonds6

About ethyl (2S)-3-[[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoate

ethyl (2S)-3-[[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoate (PubChem CID 97334966) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl (2S)-3-[[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl (2S)-3-[[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoate
PubChem CID97334966
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl (2S)-3-[[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoate
SMILESCCOC(=O)[C@@H](C)CNC(=O)N(CC)C(C)C
InChIInChI=1S/C12H24N2O3/c1-6-14(9(3)4)12(16)13-8-10(5)11(15)17-7-2/h9-10H,6-8H2,1-5H3,(H,13,16)/t10-/m0/s1
InChIKeyQFRCZTQUPKOWNR-JTQLQIEISA-N
XLogP1.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-3-acetamido-2-methylpropanoate
CID 15606037
ethyl N-ethyl-N-propan-2-ylcarbamate
CID 61216466
ethyl (2S)-3-[(3-ethoxy-3-oxopropanoyl)amino]-2-methylpropanoate
CID 86326306
ethyl 3-(ethoxyamino)-2-methylpropanoate
CID 64974924
ethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2-methylpropanoate
CID 119789223
ethyl 3-[(2-amino-3-methylpentanoyl)amino]-2-methylpropanoate
CID 119789263
3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62668669
ethyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551192
ethyl 2-[ethyl(propan-2-yl)carbamoyl]-3,3-dimethylbutanoate
CID 116537733
2-methoxy-3-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid
CID 106109710
3-tert-butyl-1-ethyl-1-propan-2-ylurea
CID 115585495
ethyl 2-methyl-3-(piperidin-1-ylamino)propanoate
CID 83014180

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-3-[[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoate?
The IUPAC name of ethyl (2S)-3-[[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoate (CID 97334966) is ethyl (2S)-3-[[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoate.
What is the SMILES notation for ethyl (2S)-3-[[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoate?
The canonical SMILES for ethyl (2S)-3-[[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoate is CCOC(=O)[C@@H](C)CNC(=O)N(CC)C(C)C.
What is the InChIKey of ethyl (2S)-3-[[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoate?
The InChIKey is QFRCZTQUPKOWNR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-14(9(3)4)12(16)13-8-10(5)11(15)17-7-2/h9-10H,6-8H2,1-5H3,(H,13,16)/t10-/m0/s1.
What are the key properties of ethyl (2S)-3-[[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoate?
ethyl (2S)-3-[[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoate has a molecular weight of 244.33 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-3-[[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoate is sourced from PubChem (CID 97334966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).