[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate

C15H19ClN4O5 — CID 9307888

IUPAC[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
SMILESCC(C)NC(=O)NC(=O)[C@H](C)OC(=O)CNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C15H19ClN4O5/c1-8(2)19-15(24)20-13(22)9(3)25-12(21)7-18-14(23)11-6-10(16)4-5-17-11/h4-6,8-9H,7H2,1-3H3,(H,18,23)(H2,19,20,22,24)/t9-/m0/s1
InChIKeyDPBNAOCHWUGDFH-VIFPVBQESA-N
MW370.79 g/mol
LogP0.63
Rot. Bonds6

About [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate

[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate (PubChem CID 9307888) has the molecular formula C15H19ClN4O5 and a molecular weight of 370.79 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
PubChem CID9307888
Molecular FormulaC15H19ClN4O5
Molecular Weight370.79 g/mol
Exact Mass370.10
IUPAC Name[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
SMILESCC(C)NC(=O)NC(=O)[C@H](C)OC(=O)CNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C15H19ClN4O5/c1-8(2)19-15(24)20-13(22)9(3)25-12(21)7-18-14(23)11-6-10(16)4-5-17-11/h4-6,8-9H,7H2,1-3H3,(H,18,23)(H2,19,20,22,24)/t9-/m0/s1
InChIKeyDPBNAOCHWUGDFH-VIFPVBQESA-N
XLogP0.63
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate with MolForge

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8854281
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8854029
[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8854260
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8854034
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 9307857
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(2-bromobenzoyl)amino]acetate
CID 8879499
4-chloro-N-(2-piperidin-1-ylpropyl)pyridine-2-carboxamide
CID 61053300
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8853560
4-chloro-N-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]pyridine-2-carboxamide
CID 9396568
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-chloro-2-fluorobenzoate
CID 46627687
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-chloro-2-fluorobenzoate
CID 8664694
4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide
CID 103461085

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate?
The IUPAC name of [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate (CID 9307888) is [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate.
What is the SMILES notation for [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate?
The canonical SMILES for [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate is CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)CNC(=O)c1cc(Cl)ccn1.
What is the InChIKey of [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate?
The InChIKey is DPBNAOCHWUGDFH-VIFPVBQESA-N. The full InChI is InChI=1S/C15H19ClN4O5/c1-8(2)19-15(24)20-13(22)9(3)25-12(21)7-18-14(23)11-6-10(16)4-5-17-11/h4-6,8-9H,7H2,1-3H3,(H,18,23)(H2,19,20,22,24)/t9-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate?
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate has a molecular weight of 370.79 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate is sourced from PubChem (CID 9307888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).