(2,4-dichlorophenyl)methyl (2R)-2-(carbamoylamino)propanoate

C11H12Cl2N2O3 — CID 2375336

IUPAC(2,4-dichlorophenyl)methyl (2R)-2-(carbamoylamino)propanoate
SMILESC[C@@H](NC(N)=O)C(=O)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N2O3/c1-6(15-11(14)17)10(16)18-5-7-2-3-8(12)4-9(7)13/h2-4,6H,5H2,1H3,(H3,14,15,17)/t6-/m1/s1
InChIKeyJSZYHVITVKTHGK-ZCFIWIBFSA-N
MW291.13 g/mol
LogP2.09
Rot. Bonds4

About (2,4-dichlorophenyl)methyl (2R)-2-(carbamoylamino)propanoate

(2,4-dichlorophenyl)methyl (2R)-2-(carbamoylamino)propanoate (PubChem CID 2375336) has the molecular formula C11H12Cl2N2O3 and a molecular weight of 291.13 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl (2R)-2-(carbamoylamino)propanoate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl (2R)-2-(carbamoylamino)propanoate
PubChem CID2375336
Molecular FormulaC11H12Cl2N2O3
Molecular Weight291.13 g/mol
Exact Mass290.02
IUPAC Name(2,4-dichlorophenyl)methyl (2R)-2-(carbamoylamino)propanoate
SMILESC[C@@H](NC(N)=O)C(=O)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N2O3/c1-6(15-11(14)17)10(16)18-5-7-2-3-8(12)4-9(7)13/h2-4,6H,5H2,1H3,(H3,14,15,17)/t6-/m1/s1
InChIKeyJSZYHVITVKTHGK-ZCFIWIBFSA-N
XLogP2.09
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dichlorophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842112
(2,4-dichlorophenyl)methyl (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8608766
(2,4-dichlorophenyl)methyl 2-[(3-nitrobenzoyl)amino]propanoate
CID 55309534
(2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 54312998
methyl 2-[[2-(4-chloro-2-methylphenyl)acetyl]amino]propanoate
CID 22104881
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate
CID 2554330
1-(2,4-dichlorophenyl)-4-methylpentan-2-one
CID 39348531
(2,4-dichlorophenyl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 7533806
5-amino-1-(2,4-dichlorophenyl)hexan-2-one
CID 116571543
(2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate
CID 2798263
ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate
CID 61343869
cis-(2,4-dichlorophenyl)methyl (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 2376302

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl (2R)-2-(carbamoylamino)propanoate?
The IUPAC name of (2,4-dichlorophenyl)methyl (2R)-2-(carbamoylamino)propanoate (CID 2375336) is (2,4-dichlorophenyl)methyl (2R)-2-(carbamoylamino)propanoate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl (2R)-2-(carbamoylamino)propanoate?
The canonical SMILES for (2,4-dichlorophenyl)methyl (2R)-2-(carbamoylamino)propanoate is C[C@@H](NC(N)=O)C(=O)OCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methyl (2R)-2-(carbamoylamino)propanoate?
The InChIKey is JSZYHVITVKTHGK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3/c1-6(15-11(14)17)10(16)18-5-7-2-3-8(12)4-9(7)13/h2-4,6H,5H2,1H3,(H3,14,15,17)/t6-/m1/s1.
What are the key properties of (2,4-dichlorophenyl)methyl (2R)-2-(carbamoylamino)propanoate?
(2,4-dichlorophenyl)methyl (2R)-2-(carbamoylamino)propanoate has a molecular weight of 291.13 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl (2R)-2-(carbamoylamino)propanoate is sourced from PubChem (CID 2375336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).