(2R)-5-methoxy-2-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid

C14H24N2O5 — CID 107829563

IUPAC(2R)-5-methoxy-2-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)NCC1CCCC1C)C(=O)O
InChIInChI=1S/C14H24N2O5/c1-9-4-3-5-10(9)8-15-14(20)16-11(13(18)19)6-7-12(17)21-2/h9-11H,3-8H2,1-2H3,(H,18,19)(H2,15,16,20)/t9?,10?,11-/m1/s1
InChIKeySSWOHVZEHMEJEB-VQXHTEKXSA-N
MW300.36 g/mol
LogP1.13
Rot. Bonds7

About (2R)-5-methoxy-2-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid

(2R)-5-methoxy-2-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid (PubChem CID 107829563) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2R)-5-methoxy-2-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-2-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
PubChem CID107829563
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name(2R)-5-methoxy-2-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)NCC1CCCC1C)C(=O)O
InChIInChI=1S/C14H24N2O5/c1-9-4-3-5-10(9)8-15-14(20)16-11(13(18)19)6-7-12(17)21-2/h9-11H,3-8H2,1-2H3,(H,18,19)(H2,15,16,20)/t9?,10?,11-/m1/s1
InChIKeySSWOHVZEHMEJEB-VQXHTEKXSA-N
XLogP1.13
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 55011890
(2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107419825
(2S)-4-methoxy-2-[(2-methylcyclopropyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 104860995
2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 107419812
(2R)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107827644
(2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 107824348
(2S)-2-[2-(carbamoylamino)ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828756
2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid
CID 107419876
(2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107826511
(2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107826543
(2S)-5-methoxy-5-oxo-2-(piperidin-4-ylcarbamoylamino)pentanoic acid
CID 107826517
(2R)-5-methoxy-5-oxo-2-(piperidin-4-ylcarbamoylamino)pentanoic acid
CID 107826516

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-2-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-methoxy-2-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid (CID 107829563) is (2R)-5-methoxy-2-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-2-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-methoxy-2-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)NCC1CCCC1C)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-2-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid?
The InChIKey is SSWOHVZEHMEJEB-VQXHTEKXSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-9-4-3-5-10(9)8-15-14(20)16-11(13(18)19)6-7-12(17)21-2/h9-11H,3-8H2,1-2H3,(H,18,19)(H2,15,16,20)/t9?,10?,11-/m1/s1.
What are the key properties of (2R)-5-methoxy-2-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid?
(2R)-5-methoxy-2-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid has a molecular weight of 300.36 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-2-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 107829563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).