[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate

C14H16ClN3O4 — CID 8854029

IUPAC[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1cc(Cl)ccn1)C(=O)NC1CC1
InChIInChI=1S/C14H16ClN3O4/c1-8(13(20)18-10-2-3-10)22-12(19)7-17-14(21)11-6-9(15)4-5-16-11/h4-6,8,10H,2-3,7H2,1H3,(H,17,21)(H,18,20)/t8-/m1/s1
InChIKeyIOANMLHPUJOMTO-MRVPVSSYSA-N
MW325.75 g/mol
LogP0.68
Rot. Bonds6

About [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate (PubChem CID 8854029) has the molecular formula C14H16ClN3O4 and a molecular weight of 325.75 g/mol. Its IUPAC name is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
PubChem CID8854029
Molecular FormulaC14H16ClN3O4
Molecular Weight325.75 g/mol
Exact Mass325.08
IUPAC Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1cc(Cl)ccn1)C(=O)NC1CC1
InChIInChI=1S/C14H16ClN3O4/c1-8(13(20)18-10-2-3-10)22-12(19)7-17-14(21)11-6-9(15)4-5-16-11/h4-6,8,10H,2-3,7H2,1H3,(H,17,21)(H,18,20)/t8-/m1/s1
InChIKeyIOANMLHPUJOMTO-MRVPVSSYSA-N
XLogP0.68
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(cyclopropylamino)-1-oxopropan-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
[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8854260
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 9307888
[(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
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate
CID 46789755
4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 24667080
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788329
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 7170519
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833361
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882218
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 32584074

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate?
The IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate (CID 8854029) is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate.
What is the SMILES notation for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate?
The canonical SMILES for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate is C[C@@H](OC(=O)CNC(=O)c1cc(Cl)ccn1)C(=O)NC1CC1.
What is the InChIKey of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate?
The InChIKey is IOANMLHPUJOMTO-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H16ClN3O4/c1-8(13(20)18-10-2-3-10)22-12(19)7-17-14(21)11-6-9(15)4-5-16-11/h4-6,8,10H,2-3,7H2,1H3,(H,17,21)(H,18,20)/t8-/m1/s1.
What are the key properties of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate?
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate has a molecular weight of 325.75 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate is sourced from PubChem (CID 8854029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).