ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate

C14H22N4O3 — CID 95352835

IUPACethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate
SMILESCCOC(=O)N[C@@H](CNC(=O)c1ncccn1)CC(C)C
InChIInChI=1S/C14H22N4O3/c1-4-21-14(20)18-11(8-10(2)3)9-17-13(19)12-15-6-5-7-16-12/h5-7,10-11H,4,8-9H2,1-3H3,(H,17,19)(H,18,20)/t11-/m1/s1
InChIKeySDGXMZBERQECQR-LLVKDONJSA-N
MW294.35 g/mol
LogP1.37
Rot. Bonds7

About ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate

ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate (PubChem CID 95352835) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate
PubChem CID95352835
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Nameethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate
SMILESCCOC(=O)N[C@@H](CNC(=O)c1ncccn1)CC(C)C
InChIInChI=1S/C14H22N4O3/c1-4-21-14(20)18-11(8-10(2)3)9-17-13(19)12-15-6-5-7-16-12/h5-7,10-11H,4,8-9H2,1-3H3,(H,17,19)(H,18,20)/t11-/m1/s1
InChIKeySDGXMZBERQECQR-LLVKDONJSA-N
XLogP1.37
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[(2R)-4-methyl-1-[(2-methyl-1H-imidazole-5-carbonyl)amino]pentan-2-yl]carbamate
CID 97029173
ethyl N-[4-methyl-1-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]pentan-2-yl]carbamate
CID 46483038
ethyl N-[(2S)-1-[(2-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929483
ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 42959669
ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929597
ethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929569
ethyl N-[4-methyl-1-[(2-nitrobenzoyl)amino]pentan-2-yl]carbamate
CID 46432668
ethyl N-[1-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]-4-methylpentan-2-yl]carbamate
CID 110970675
ethyl N-[1-[(3-ethylthiophene-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate
CID 60566688
ethyl N-[4-methyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentan-2-yl]carbamate
CID 55654735
ethyl N-[4-methyl-1-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]pentan-2-yl]carbamate;hydroiodide
CID 111192989
ethyl N-[(2S)-1-[(3-cyanobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38931311

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate?
The IUPAC name of ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate (CID 95352835) is ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate is CCOC(=O)N[C@@H](CNC(=O)c1ncccn1)CC(C)C.
What is the InChIKey of ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate?
The InChIKey is SDGXMZBERQECQR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-21-14(20)18-11(8-10(2)3)9-17-13(19)12-15-6-5-7-16-12/h5-7,10-11H,4,8-9H2,1-3H3,(H,17,19)(H,18,20)/t11-/m1/s1.
What are the key properties of ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate?
ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate is sourced from PubChem (CID 95352835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).