(2S)-2-[(3,3-dimethylcyclopentyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid

C14H24N2O5 — CID 107829339

IUPAC(2S)-2-[(3,3-dimethylcyclopentyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)NC1CCC(C)(C)C1)C(=O)O
InChIInChI=1S/C14H24N2O5/c1-14(2)7-6-9(8-14)15-13(20)16-10(12(18)19)4-5-11(17)21-3/h9-10H,4-8H2,1-3H3,(H,18,19)(H2,15,16,20)/t9?,10-/m0/s1
InChIKeyAEDVPIHXUBAGOK-AXDSSHIGSA-N
MW300.36 g/mol
LogP1.27
Rot. Bonds6

About (2S)-2-[(3,3-dimethylcyclopentyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid

(2S)-2-[(3,3-dimethylcyclopentyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid (PubChem CID 107829339) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S)-2-[(3,3-dimethylcyclopentyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3,3-dimethylcyclopentyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
PubChem CID107829339
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name(2S)-2-[(3,3-dimethylcyclopentyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)NC1CCC(C)(C)C1)C(=O)O
InChIInChI=1S/C14H24N2O5/c1-14(2)7-6-9(8-14)15-13(20)16-10(12(18)19)4-5-11(17)21-3/h9-10H,4-8H2,1-3H3,(H,18,19)(H2,15,16,20)/t9?,10-/m0/s1
InChIKeyAEDVPIHXUBAGOK-AXDSSHIGSA-N
XLogP1.27
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.27
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
(2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid
CID 114005833
(2S)-5-methoxy-5-oxo-2-[(1-oxothian-4-yl)carbamoylamino]pentanoic acid
CID 107829057
(2R)-5-methoxy-2-[(1-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
CID 107828105
(2S)-2-(1-cyclopropylpropan-2-ylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107827918
(2R)-2-(cyclobutylcarbamoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 106931687
(2R)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107828378
(2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107826543
5-amino-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-5-oxopentanoic acid
CID 83034512
3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid
CID 103968112
3-[(3,3-dimethylcyclopentyl)carbamoylamino]-5,5-dimethylhexanoic acid
CID 114549080

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,3-dimethylcyclopentyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2S)-2-[(3,3-dimethylcyclopentyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid (CID 107829339) is (2S)-2-[(3,3-dimethylcyclopentyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-[(3,3-dimethylcyclopentyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-[(3,3-dimethylcyclopentyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid is COC(=O)CC[C@H](NC(=O)NC1CCC(C)(C)C1)C(=O)O.
What is the InChIKey of (2S)-2-[(3,3-dimethylcyclopentyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is AEDVPIHXUBAGOK-AXDSSHIGSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-14(2)7-6-9(8-14)15-13(20)16-10(12(18)19)4-5-11(17)21-3/h9-10H,4-8H2,1-3H3,(H,18,19)(H2,15,16,20)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-[(3,3-dimethylcyclopentyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid?
(2S)-2-[(3,3-dimethylcyclopentyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 300.36 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,3-dimethylcyclopentyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107829339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).