(2R)-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid

C14H26N2O4 — CID 104985531

IUPAC(2R)-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
SMILESCN(CC1(O)CCCC1)C(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-13(2,3)10(11(17)18)15-12(19)16(4)9-14(20)7-5-6-8-14/h10,20H,5-9H2,1-4H3,(H,15,19)(H,17,18)/t10-/m0/s1
InChIKeyWHEFKEHASDZHEB-JTQLQIEISA-N
MW286.37 g/mol
LogP1.43
Rot. Bonds4

About (2R)-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid

(2R)-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 104985531) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is (2R)-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
PubChem CID104985531
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name(2R)-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
SMILESCN(CC1(O)CCCC1)C(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-13(2,3)10(11(17)18)15-12(19)16(4)9-14(20)7-5-6-8-14/h10,20H,5-9H2,1-4H3,(H,15,19)(H,17,18)/t10-/m0/s1
InChIKeyWHEFKEHASDZHEB-JTQLQIEISA-N
XLogP1.43
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid (CID 104985531) is (2R)-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid is CN(CC1(O)CCCC1)C(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is WHEFKEHASDZHEB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H26N2O4/c1-13(2,3)10(11(17)18)15-12(19)16(4)9-14(20)7-5-6-8-14/h10,20H,5-9H2,1-4H3,(H,15,19)(H,17,18)/t10-/m0/s1.
What are the key properties of (2R)-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid?
(2R)-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 104985531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).