(2R)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid

C14H18N2O5 — CID 107829854

IUPAC(2R)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid
SMILESCOCc1cccc(C(=O)N[C@H](CCC(N)=O)C(=O)O)c1
InChIInChI=1S/C14H18N2O5/c1-21-8-9-3-2-4-10(7-9)13(18)16-11(14(19)20)5-6-12(15)17/h2-4,7,11H,5-6,8H2,1H3,(H2,15,17)(H,16,18)(H,19,20)/t11-/m1/s1
InChIKeyJTOLWHYRJPWUNM-LLVKDONJSA-N
MW294.31 g/mol
LogP0.28
Rot. Bonds8

About (2R)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid

(2R)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid (PubChem CID 107829854) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2R)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid
PubChem CID107829854
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name(2R)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid
SMILESCOCc1cccc(C(=O)N[C@H](CCC(N)=O)C(=O)O)c1
InChIInChI=1S/C14H18N2O5/c1-21-8-9-3-2-4-10(7-9)13(18)16-11(14(19)20)5-6-12(15)17/h2-4,7,11H,5-6,8H2,1H3,(H2,15,17)(H,16,18)(H,19,20)/t11-/m1/s1
InChIKeyJTOLWHYRJPWUNM-LLVKDONJSA-N
XLogP0.28
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid
CID 61144055
5-amino-2-[[3-(aminomethyl)benzoyl]amino]-5-oxopentanoic acid
CID 82546355
(2S)-4-methoxy-2-[[3-(methoxymethyl)benzoyl]amino]-4-oxobutanoic acid
CID 63306864
5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid
CID 43176049
5-amino-2-[(3-bromobenzoyl)amino]-5-oxopentanoic acid
CID 24693335
2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid
CID 43170851
N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide
CID 134045690
(2S,3R)-3-hydroxy-2-[[3-(methoxymethyl)benzoyl]amino]butanoic acid
CID 104964995
(2S)-2-[[3-(methoxymethyl)benzoyl]amino]-3-methylpentanoic acid
CID 61172026
(2S)-5-amino-2-[(3,5-dimethoxy-4-phenylbenzoyl)amino]-5-oxopentanoic acid
CID 67332121
CID 68604008
CID 68604008
(2R)-2-[[3-[[(1R)-1,3-dicarboxypropyl]carbamoyl]benzoyl]amino]pentanedioic acid
CID 99966260

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid (CID 107829854) is (2R)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid is COCc1cccc(C(=O)N[C@H](CCC(N)=O)C(=O)O)c1.
What is the InChIKey of (2R)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid?
The InChIKey is JTOLWHYRJPWUNM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-21-8-9-3-2-4-10(7-9)13(18)16-11(14(19)20)5-6-12(15)17/h2-4,7,11H,5-6,8H2,1H3,(H2,15,17)(H,16,18)(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid has a molecular weight of 294.31 g/mol, XLogP of 0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 107829854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).