(2R)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-5-methoxy-5-oxopentanoic acid

C13H25N3O5 — CID 107827833

IUPAC(2R)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)N(C)CCCN(C)C)C(=O)O
InChIInChI=1S/C13H25N3O5/c1-15(2)8-5-9-16(3)13(20)14-10(12(18)19)6-7-11(17)21-4/h10H,5-9H2,1-4H3,(H,14,20)(H,18,19)/t10-/m1/s1
InChIKeyAIBZYQFNZUMODC-SNVBAGLBSA-N
MW303.36 g/mol
LogP-0.01
Rot. Bonds9

About (2R)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-5-methoxy-5-oxopentanoic acid

(2R)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 107827833) has the molecular formula C13H25N3O5 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2R)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-5-methoxy-5-oxopentanoic acid
PubChem CID107827833
Molecular FormulaC13H25N3O5
Molecular Weight303.36 g/mol
Exact Mass303.18
IUPAC Name(2R)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)N(C)CCCN(C)C)C(=O)O
InChIInChI=1S/C13H25N3O5/c1-15(2)8-5-9-16(3)13(20)14-10(12(18)19)6-7-11(17)21-4/h10H,5-9H2,1-4H3,(H,14,20)(H,18,19)/t10-/m1/s1
InChIKeyAIBZYQFNZUMODC-SNVBAGLBSA-N
XLogP-0.01
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[butyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005321
(2S)-5-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 114005480
(2R)-5-methoxy-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107828176
(2S)-2-[[2,2-difluoroethyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005859
(2R)-2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107827291
(2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107828313
(2S)-2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 55002285
2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pentanedioic acid
CID 61192921
5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 63699583
(2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566916
(2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 98534737
2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 55226587

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-5-methoxy-5-oxopentanoic acid (CID 107827833) is (2R)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-5-methoxy-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)N(C)CCCN(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is AIBZYQFNZUMODC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H25N3O5/c1-15(2)8-5-9-16(3)13(20)14-10(12(18)19)6-7-11(17)21-4/h10H,5-9H2,1-4H3,(H,14,20)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-5-methoxy-5-oxopentanoic acid?
(2R)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 303.36 g/mol, XLogP of -0.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107827833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).