lithium;2-(diethylcarbamoylamino)-3-(1-methylcyclopentyl)propanoic acid;hydride

C14H27LiN2O3 — CID 173484127

IUPAClithium;2-(diethylcarbamoylamino)-3-(1-methylcyclopentyl)propanoic acid;hydride
SMILESCCN(CC)C(=O)NC(CC1(C)CCCC1)C(=O)O.[H-].[Li+]
InChIInChI=1S/C14H26N2O3.Li.H/c1-4-16(5-2)13(19)15-11(12(17)18)10-14(3)8-6-7-9-14;;/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18);;/q;+1;-1
InChIKeyYIDNYZOIXXLSRT-UHFFFAOYSA-N
MW278.32 g/mol
LogP-0.42
Rot. Bonds6

About lithium;2-(diethylcarbamoylamino)-3-(1-methylcyclopentyl)propanoic acid;hydride

lithium;2-(diethylcarbamoylamino)-3-(1-methylcyclopentyl)propanoic acid;hydride (PubChem CID 173484127) has the molecular formula C14H27LiN2O3 and a molecular weight of 278.32 g/mol. Its IUPAC name is lithium;2-(diethylcarbamoylamino)-3-(1-methylcyclopentyl)propanoic acid;hydride.

Molecular Properties

Compound Namelithium;2-(diethylcarbamoylamino)-3-(1-methylcyclopentyl)propanoic acid;hydride
PubChem CID173484127
Molecular FormulaC14H27LiN2O3
Molecular Weight278.32 g/mol
Exact Mass278.22
IUPAC Namelithium;2-(diethylcarbamoylamino)-3-(1-methylcyclopentyl)propanoic acid;hydride
SMILESCCN(CC)C(=O)NC(CC1(C)CCCC1)C(=O)O.[H-].[Li+]
InChIInChI=1S/C14H26N2O3.Li.H/c1-4-16(5-2)13(19)15-11(12(17)18)10-14(3)8-6-7-9-14;;/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18);;/q;+1;-1
InChIKeyYIDNYZOIXXLSRT-UHFFFAOYSA-N
XLogP-0.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

lithium;hydride;3-(1-methylcyclopentyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid
CID 173484144
2-(methylamino)-3-(1-methylcyclopentyl)propanoic acid
CID 67554583
2-(2,2-dimethylpropanoylamino)-3-(1-methylcyclopentyl)propanoic acid
CID 174649408
1,1-diethyl-3-[(1-methylcyclopentyl)methyl]urea
CID 115618855
2-(diethylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 61186777
(2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826992
ethane;2-(methylamino)-1-(1-methylcyclohexyl)pentan-3-one
CID 142227947
(2R)-2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]pentanoic acid
CID 107567865
(2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976291
2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 55002240
(2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid
CID 107565990
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 61447549

Frequently Asked Questions

What is the IUPAC name of lithium;2-(diethylcarbamoylamino)-3-(1-methylcyclopentyl)propanoic acid;hydride?
The IUPAC name of lithium;2-(diethylcarbamoylamino)-3-(1-methylcyclopentyl)propanoic acid;hydride (CID 173484127) is lithium;2-(diethylcarbamoylamino)-3-(1-methylcyclopentyl)propanoic acid;hydride.
What is the SMILES notation for lithium;2-(diethylcarbamoylamino)-3-(1-methylcyclopentyl)propanoic acid;hydride?
The canonical SMILES for lithium;2-(diethylcarbamoylamino)-3-(1-methylcyclopentyl)propanoic acid;hydride is CCN(CC)C(=O)NC(CC1(C)CCCC1)C(=O)O.[H-].[Li+].
What is the InChIKey of lithium;2-(diethylcarbamoylamino)-3-(1-methylcyclopentyl)propanoic acid;hydride?
The InChIKey is YIDNYZOIXXLSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3.Li.H/c1-4-16(5-2)13(19)15-11(12(17)18)10-14(3)8-6-7-9-14;;/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18);;/q;+1;-1.
What are the key properties of lithium;2-(diethylcarbamoylamino)-3-(1-methylcyclopentyl)propanoic acid;hydride?
lithium;2-(diethylcarbamoylamino)-3-(1-methylcyclopentyl)propanoic acid;hydride has a molecular weight of 278.32 g/mol, XLogP of -0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-(diethylcarbamoylamino)-3-(1-methylcyclopentyl)propanoic acid;hydride is sourced from PubChem (CID 173484127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).