[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methyl-ethylamino]acetate

C15H20ClN3O4 — CID 95347808

IUPAC[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methyl-ethylamino]acetate
SMILESCCN(CC(=O)O[C@H](C)C(=O)NC(N)=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O4/c1-3-19(8-11-4-6-12(16)7-5-11)9-13(20)23-10(2)14(21)18-15(17)22/h4-7,10H,3,8-9H2,1-2H3,(H3,17,18,21,22)/t10-/m1/s1
InChIKeyDEIGOFSHCFXNRP-SNVBAGLBSA-N
MW341.80 g/mol
LogP1.29
Rot. Bonds7

About [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methyl-ethylamino]acetate

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methyl-ethylamino]acetate (PubChem CID 95347808) has the molecular formula C15H20ClN3O4 and a molecular weight of 341.80 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methyl-ethylamino]acetate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methyl-ethylamino]acetate
PubChem CID95347808
Molecular FormulaC15H20ClN3O4
Molecular Weight341.80 g/mol
Exact Mass341.11
IUPAC Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methyl-ethylamino]acetate
SMILESCCN(CC(=O)O[C@H](C)C(=O)NC(N)=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O4/c1-3-19(8-11-4-6-12(16)7-5-11)9-13(20)23-10(2)14(21)18-15(17)22/h4-7,10H,3,8-9H2,1-2H3,(H3,17,18,21,22)/t10-/m1/s1
InChIKeyDEIGOFSHCFXNRP-SNVBAGLBSA-N
XLogP1.29
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 16540210
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 2629299
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate
CID 2554330
propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate
CID 54940295
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate
CID 7752701
2-[(4-aminophenyl)methyl-ethylamino]-N-carbamoylacetamide
CID 43383866
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 2606014
methyl 2-[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]acetate
CID 110908434
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750311
3-[[2-[(4-chlorophenyl)methyl-ethylamino]acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 75445735
methyl 2-[ethyl-[(4-iodophenyl)methyl]amino]acetate
CID 65477944
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
CID 3681779

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methyl-ethylamino]acetate?
The IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methyl-ethylamino]acetate (CID 95347808) is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methyl-ethylamino]acetate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methyl-ethylamino]acetate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methyl-ethylamino]acetate is CCN(CC(=O)O[C@H](C)C(=O)NC(N)=O)Cc1ccc(Cl)cc1.
What is the InChIKey of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methyl-ethylamino]acetate?
The InChIKey is DEIGOFSHCFXNRP-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20ClN3O4/c1-3-19(8-11-4-6-12(16)7-5-11)9-13(20)23-10(2)14(21)18-15(17)22/h4-7,10H,3,8-9H2,1-2H3,(H3,17,18,21,22)/t10-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methyl-ethylamino]acetate?
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methyl-ethylamino]acetate has a molecular weight of 341.80 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methyl-ethylamino]acetate is sourced from PubChem (CID 95347808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).