(2R)-2-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid

C13H25N3O5 — CID 107827164

IUPAC(2R)-2-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)NCC(C)(C)N(C)C)C(=O)O
InChIInChI=1S/C13H25N3O5/c1-13(2,16(3)4)8-14-12(20)15-9(11(18)19)6-7-10(17)21-5/h9H,6-8H2,1-5H3,(H,18,19)(H2,14,15,20)/t9-/m1/s1
InChIKeyHSPYWIWERWSDTQ-SECBINFHSA-N
MW303.36 g/mol
LogP0.03
Rot. Bonds8

About (2R)-2-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid

(2R)-2-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid (PubChem CID 107827164) has the molecular formula C13H25N3O5 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2R)-2-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
PubChem CID107827164
Molecular FormulaC13H25N3O5
Molecular Weight303.36 g/mol
Exact Mass303.18
IUPAC Name(2R)-2-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)NCC(C)(C)N(C)C)C(=O)O
InChIInChI=1S/C13H25N3O5/c1-13(2,16(3)4)8-14-12(20)15-9(11(18)19)6-7-10(17)21-5/h9H,6-8H2,1-5H3,(H,18,19)(H2,14,15,20)/t9-/m1/s1
InChIKeyHSPYWIWERWSDTQ-SECBINFHSA-N
XLogP0.03
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107826511
(2R)-5-methoxy-2-(4-methylpentylcarbamoylamino)-5-oxopentanoic acid
CID 107827677
(2S)-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828696
(2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107827547
(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107825526
2-[(2-methoxy-2-oxoethyl)carbamoylamino]pentanedioic acid
CID 61181286
(2S)-2-[2-(carbamoylamino)ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828756
(2R)-2-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828859
(2R)-5-methoxy-2-(2-methoxypropylcarbamoylamino)-5-oxopentanoic acid
CID 114005908
(2S)-2-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828861
(2S)-5-methoxy-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-5-oxopentanoic acid
CID 107828997
(2S)-5-methoxy-2-[3-(methylamino)propylcarbamoylamino]-5-oxopentanoic acid
CID 107826533

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid (CID 107827164) is (2R)-2-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)NCC(C)(C)N(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is HSPYWIWERWSDTQ-SECBINFHSA-N. The full InChI is InChI=1S/C13H25N3O5/c1-13(2,16(3)4)8-14-12(20)15-9(11(18)19)6-7-10(17)21-5/h9H,6-8H2,1-5H3,(H,18,19)(H2,14,15,20)/t9-/m1/s1.
What are the key properties of (2R)-2-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid?
(2R)-2-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 303.36 g/mol, XLogP of 0.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107827164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).