(2R)-2-(cyclobutylcarbamoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

C14H24N2O5 — CID 106931687

IUPAC(2R)-2-(cyclobutylcarbamoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)CC[C@@H](NC(=O)NC1CCC1)C(=O)O
InChIInChI=1S/C14H24N2O5/c1-14(2,3)21-11(17)8-7-10(12(18)19)16-13(20)15-9-5-4-6-9/h9-10H,4-8H2,1-3H3,(H,18,19)(H2,15,16,20)/t10-/m1/s1
InChIKeyRVZFMHVPZDFJDS-SNVBAGLBSA-N
MW300.35 g/mol
LogP1.41
Rot. Bonds6

About (2R)-2-(cyclobutylcarbamoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

(2R)-2-(cyclobutylcarbamoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (PubChem CID 106931687) has the molecular formula C14H24N2O5 and a molecular weight of 300.35 g/mol. Its IUPAC name is (2R)-2-(cyclobutylcarbamoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-(cyclobutylcarbamoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
PubChem CID106931687
Molecular FormulaC14H24N2O5
Molecular Weight300.35 g/mol
Exact Mass300.17
IUPAC Name(2R)-2-(cyclobutylcarbamoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)CC[C@@H](NC(=O)NC1CCC1)C(=O)O
InChIInChI=1S/C14H24N2O5/c1-14(2,3)21-11(17)8-7-10(12(18)19)16-13(20)15-9-5-4-6-9/h9-10H,4-8H2,1-3H3,(H,18,19)(H2,15,16,20)/t10-/m1/s1
InChIKeyRVZFMHVPZDFJDS-SNVBAGLBSA-N
XLogP1.41
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid
CID 107830466
(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
tert-butyl 4-(cyclobutylamino)-4-oxobutanoate
CID 106707367
2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid
CID 62478798
(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
CID 71407874
3-hydroxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid
CID 174532909
N-cyclohexylcyclohexanamine;(2R)-5-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 122173545
(2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid
CID 114005833
(2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62413842

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclobutylcarbamoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The IUPAC name of (2R)-2-(cyclobutylcarbamoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (CID 106931687) is (2R)-2-(cyclobutylcarbamoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-(cyclobutylcarbamoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-(cyclobutylcarbamoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is CC(C)(C)OC(=O)CC[C@@H](NC(=O)NC1CCC1)C(=O)O.
What is the InChIKey of (2R)-2-(cyclobutylcarbamoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The InChIKey is RVZFMHVPZDFJDS-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-14(2,3)21-11(17)8-7-10(12(18)19)16-13(20)15-9-5-4-6-9/h9-10H,4-8H2,1-3H3,(H,18,19)(H2,15,16,20)/t10-/m1/s1.
What are the key properties of (2R)-2-(cyclobutylcarbamoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
(2R)-2-(cyclobutylcarbamoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid has a molecular weight of 300.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclobutylcarbamoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is sourced from PubChem (CID 106931687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).