4-[[(2R)-2-aminopropanoyl]amino]-3,5-dichlorobenzoic acid

C10H10Cl2N2O3 — CID 82830134

IUPAC4-[[(2R)-2-aminopropanoyl]amino]-3,5-dichlorobenzoic acid
SMILESC[C@@H](N)C(=O)Nc1c(Cl)cc(C(=O)O)cc1Cl
InChIInChI=1S/C10H10Cl2N2O3/c1-4(13)9(15)14-8-6(11)2-5(10(16)17)3-7(8)12/h2-4H,13H2,1H3,(H,14,15)(H,16,17)/t4-/m1/s1
InChIKeyGLBOPTBEDBMMEM-SCSAIBSYSA-N
MW277.11 g/mol
LogP1.98
Rot. Bonds3

About 4-[[(2R)-2-aminopropanoyl]amino]-3,5-dichlorobenzoic acid

4-[[(2R)-2-aminopropanoyl]amino]-3,5-dichlorobenzoic acid (PubChem CID 82830134) has the molecular formula C10H10Cl2N2O3 and a molecular weight of 277.11 g/mol. Its IUPAC name is 4-[[(2R)-2-aminopropanoyl]amino]-3,5-dichlorobenzoic acid.

Molecular Properties

Compound Name4-[[(2R)-2-aminopropanoyl]amino]-3,5-dichlorobenzoic acid
PubChem CID82830134
Molecular FormulaC10H10Cl2N2O3
Molecular Weight277.11 g/mol
Exact Mass276.01
IUPAC Name4-[[(2R)-2-aminopropanoyl]amino]-3,5-dichlorobenzoic acid
SMILESC[C@@H](N)C(=O)Nc1c(Cl)cc(C(=O)O)cc1Cl
InChIInChI=1S/C10H10Cl2N2O3/c1-4(13)9(15)14-8-6(11)2-5(10(16)17)3-7(8)12/h2-4H,13H2,1H3,(H,14,15)(H,16,17)/t4-/m1/s1
InChIKeyGLBOPTBEDBMMEM-SCSAIBSYSA-N
XLogP1.98
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminobutanoylamino)-3,5-dichlorobenzoic acid
CID 82831163
4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3,5-dichlorobenzoic acid
CID 82840614
4-[(2-aminoacetyl)amino]-3,5-dichlorobenzoic acid
CID 82830709
3,5-dichloro-4-(3-methylbutylcarbamoylamino)benzoic acid
CID 82831031
4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid
CID 78973494
3,5-dichloro-4-[(2-methoxyacetyl)amino]benzoic acid
CID 82831221
2-amino-N-(3-chloro-4-methylphenyl)propanamide
CID 24694047
(2R)-2-amino-N-(4-bromo-2,6-dichlorophenyl)-3-methylbutanamide
CID 28993455
2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic acid
CID 61161551
(2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide
CID 79009037
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
3,5-dichloro-4-(2,2-dimethylpropylcarbamoylamino)benzoic acid
CID 82832906

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-aminopropanoyl]amino]-3,5-dichlorobenzoic acid?
The IUPAC name of 4-[[(2R)-2-aminopropanoyl]amino]-3,5-dichlorobenzoic acid (CID 82830134) is 4-[[(2R)-2-aminopropanoyl]amino]-3,5-dichlorobenzoic acid.
What is the SMILES notation for 4-[[(2R)-2-aminopropanoyl]amino]-3,5-dichlorobenzoic acid?
The canonical SMILES for 4-[[(2R)-2-aminopropanoyl]amino]-3,5-dichlorobenzoic acid is C[C@@H](N)C(=O)Nc1c(Cl)cc(C(=O)O)cc1Cl.
What is the InChIKey of 4-[[(2R)-2-aminopropanoyl]amino]-3,5-dichlorobenzoic acid?
The InChIKey is GLBOPTBEDBMMEM-SCSAIBSYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O3/c1-4(13)9(15)14-8-6(11)2-5(10(16)17)3-7(8)12/h2-4H,13H2,1H3,(H,14,15)(H,16,17)/t4-/m1/s1.
What are the key properties of 4-[[(2R)-2-aminopropanoyl]amino]-3,5-dichlorobenzoic acid?
4-[[(2R)-2-aminopropanoyl]amino]-3,5-dichlorobenzoic acid has a molecular weight of 277.11 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-aminopropanoyl]amino]-3,5-dichlorobenzoic acid is sourced from PubChem (CID 82830134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).