(2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid

C11H22N2O3 — CID 107566318

IUPAC(2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid
SMILESCCC[C@@H](NC(=O)NCC(C)(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-6-8(9(14)15)13-10(16)12-7-11(2,3)4/h8H,5-7H2,1-4H3,(H,14,15)(H2,12,13,16)/t8-/m1/s1
InChIKeyUUSSIFFJHNIEFY-MRVPVSSYSA-N
MW230.31 g/mol
LogP1.59
Rot. Bonds5

About (2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid

(2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid (PubChem CID 107566318) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid
PubChem CID107566318
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid
SMILESCCC[C@@H](NC(=O)NCC(C)(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-6-8(9(14)15)13-10(16)12-7-11(2,3)4/h8H,5-7H2,1-4H3,(H,14,15)(H2,12,13,16)/t8-/m1/s1
InChIKeyUUSSIFFJHNIEFY-MRVPVSSYSA-N
XLogP1.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-methyl-2-methylsulfanylpropyl)carbamoylamino]pentanoic acid
CID 107567623
(2S)-2-(3,3-dimethylbutylcarbamoylamino)pentanoic acid
CID 94208084
(2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid
CID 61209238
(2R)-2-(2,2-dimethylheptylcarbamoylamino)pentanoic acid
CID 107567309
2-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]pentanoic acid
CID 112588497
(2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid
CID 107566284
2-(2-methylpropylcarbamoylamino)pentanoic acid
CID 16790600
2-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 24704064
2-(2-ethylbutylcarbamoylamino)pentanoic acid
CID 82927206
(2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid
CID 107566228
2-(3,3-dimethylbutanoylamino)pentanoic acid
CID 43631047
(2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid
CID 78971835

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid?
The IUPAC name of (2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid (CID 107566318) is (2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid is CCC[C@@H](NC(=O)NCC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid?
The InChIKey is UUSSIFFJHNIEFY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-6-8(9(14)15)13-10(16)12-7-11(2,3)4/h8H,5-7H2,1-4H3,(H,14,15)(H2,12,13,16)/t8-/m1/s1.
What are the key properties of (2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid?
(2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 107566318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).