ethyl N-[2-[[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate

C14H25N3O4 — CID 8792486

IUPACethyl N-[2-[[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CC(=O)N[C@@H](C)C1CC1
InChIInChI=1S/C14H25N3O4/c1-4-17(9-13(19)16-14(20)21-5-2)8-12(18)15-10(3)11-6-7-11/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,19,20)/t10-/m0/s1
InChIKeyVBWAYKWLDHZSFU-JTQLQIEISA-N
MW299.37 g/mol
LogP0.50
Rot. Bonds8

About ethyl N-[2-[[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate

ethyl N-[2-[[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate (PubChem CID 8792486) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl N-[2-[[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate
PubChem CID8792486
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Nameethyl N-[2-[[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CC(=O)N[C@@H](C)C1CC1
InChIInChI=1S/C14H25N3O4/c1-4-17(9-13(19)16-14(20)21-5-2)8-12(18)15-10(3)11-6-7-11/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,19,20)/t10-/m0/s1
InChIKeyVBWAYKWLDHZSFU-JTQLQIEISA-N
XLogP0.50
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl N-[2-[[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate with MolForge

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Related Compounds

ethyl N-[2-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905009
2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 43656480
propan-2-yl 4-[[2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]acetyl]amino]benzoate
CID 8905018
ethyl N-[2-[ethyl-[2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]amino]acetyl]carbamate
CID 8557018
ethyl N-[2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905278
ethyl N-[2-[ethyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetyl]carbamate
CID 8905335
2-cyclopropyl-2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 62696389
ethyl N-[2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8792380
ethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905436
ethyl N-[2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetyl]carbamate
CID 61231344
ethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate
CID 115665851
ethyl N-[2-[methyl(piperidin-4-yl)amino]acetyl]carbamate
CID 43607361

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate (CID 8792486) is ethyl N-[2-[[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate is CCOC(=O)NC(=O)CN(CC)CC(=O)N[C@@H](C)C1CC1.
What is the InChIKey of ethyl N-[2-[[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate?
The InChIKey is VBWAYKWLDHZSFU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-17(9-13(19)16-14(20)21-5-2)8-12(18)15-10(3)11-6-7-11/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,19,20)/t10-/m0/s1.
What are the key properties of ethyl N-[2-[[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate?
ethyl N-[2-[[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate has a molecular weight of 299.37 g/mol, XLogP of 0.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate is sourced from PubChem (CID 8792486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).