2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid

C14H20N2O5 — CID 103870871

IUPAC2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid
SMILESCCC[C@@H](N)C(=O)Nc1cc(OC)c(OC)cc1C(=O)O
InChIInChI=1S/C14H20N2O5/c1-4-5-9(15)13(17)16-10-7-12(21-3)11(20-2)6-8(10)14(18)19/h6-7,9H,4-5,15H2,1-3H3,(H,16,17)(H,18,19)/t9-/m1/s1
InChIKeyPIJWAEMYYFMQSZ-SECBINFHSA-N
MW296.32 g/mol
LogP1.47
Rot. Bonds7

About 2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid

2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid (PubChem CID 103870871) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid
PubChem CID103870871
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid
SMILESCCC[C@@H](N)C(=O)Nc1cc(OC)c(OC)cc1C(=O)O
InChIInChI=1S/C14H20N2O5/c1-4-5-9(15)13(17)16-10-7-12(21-3)11(20-2)6-8(10)14(18)19/h6-7,9H,4-5,15H2,1-3H3,(H,16,17)(H,18,19)/t9-/m1/s1
InChIKeyPIJWAEMYYFMQSZ-SECBINFHSA-N
XLogP1.47
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride
CID 119301241
4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid
CID 107570971
(2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide
CID 107567961
2-[[(2S)-2-aminobutanoyl]amino]-4,5-dimethoxybenzamide
CID 119307644
N-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 119265950
2-amino-N-(2,5-dimethoxyphenyl)pentanamide;hydrochloride
CID 119263329
2-[[(2S)-2-aminopentanoyl]amino]-4-(trifluoromethyl)benzoic acid
CID 103871095
4-[(2-amino-3-carboxypropanoyl)amino]-5-chloro-2-methoxybenzoic acid
CID 64896328
4,5-dimethoxy-2-(propan-2-ylcarbamoylamino)benzoic acid
CID 28737773
3-amino-4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoic acid
CID 64895496
3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzoic acid
CID 107145552
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-5-chloro-2-methoxybenzoic acid
CID 61162190

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid?
The IUPAC name of 2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid (CID 103870871) is 2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid?
The canonical SMILES for 2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid is CCC[C@@H](N)C(=O)Nc1cc(OC)c(OC)cc1C(=O)O.
What is the InChIKey of 2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid?
The InChIKey is PIJWAEMYYFMQSZ-SECBINFHSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-4-5-9(15)13(17)16-10-7-12(21-3)11(20-2)6-8(10)14(18)19/h6-7,9H,4-5,15H2,1-3H3,(H,16,17)(H,18,19)/t9-/m1/s1.
What are the key properties of 2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid?
2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid has a molecular weight of 296.32 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 103870871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).