(2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid

C12H20N2O5 — CID 114005833

IUPAC(2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)NC1CC(C)C1)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-7-5-8(6-7)13-12(18)14-9(11(16)17)3-4-10(15)19-2/h7-9H,3-6H2,1-2H3,(H,16,17)(H2,13,14,18)/t7?,8?,9-/m1/s1
InChIKeyCDRAYCMSCYALAA-AMDVSUOASA-N
MW272.30 g/mol
LogP0.49
Rot. Bonds6

About (2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid

(2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 114005833) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid
PubChem CID114005833
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)NC1CC(C)C1)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-7-5-8(6-7)13-12(18)14-9(11(16)17)3-4-10(15)19-2/h7-9H,3-6H2,1-2H3,(H,16,17)(H2,13,14,18)/t7?,8?,9-/m1/s1
InChIKeyCDRAYCMSCYALAA-AMDVSUOASA-N
XLogP0.49
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732149
(2R)-5-methoxy-5-oxo-2-(piperidin-4-ylcarbamoylamino)pentanoic acid
CID 107826516
(2S)-5-methoxy-5-oxo-2-(piperidin-4-ylcarbamoylamino)pentanoic acid
CID 107826517
(2S)-5-methoxy-5-oxo-2-[(1-oxothian-4-yl)carbamoylamino]pentanoic acid
CID 107829057
(2S)-3-hydroxy-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid
CID 104861581
(2S)-2-[(3,3-dimethylcyclopentyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107829339
(2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
CID 104937664
5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 61199710
5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid
CID 82786795
(2S)-5-methoxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107826487
5-methoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 82787410
(2R)-2-(cyclobutylcarbamoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 106931687

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid (CID 114005833) is (2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)NC1CC(C)C1)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is CDRAYCMSCYALAA-AMDVSUOASA-N. The full InChI is InChI=1S/C12H20N2O5/c1-7-5-8(6-7)13-12(18)14-9(11(16)17)3-4-10(15)19-2/h7-9H,3-6H2,1-2H3,(H,16,17)(H2,13,14,18)/t7?,8?,9-/m1/s1.
What are the key properties of (2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid?
(2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 272.30 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 114005833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).