2-cyclopropyl-4-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid

C14H25NO5 — CID 106489825

IUPAC2-cyclopropyl-4-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
SMILESCC(O)CC(CNC(=O)OC(C)(C)C)(C(=O)O)C1CC1
InChIInChI=1S/C14H25NO5/c1-9(16)7-14(11(17)18,10-5-6-10)8-15-12(19)20-13(2,3)4/h9-10,16H,5-8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyROXYUCSHXCYBJE-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.76
Rot. Bonds6

About 2-cyclopropyl-4-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid

2-cyclopropyl-4-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid (PubChem CID 106489825) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-4-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
PubChem CID106489825
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name2-cyclopropyl-4-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
SMILESCC(O)CC(CNC(=O)OC(C)(C)C)(C(=O)O)C1CC1
InChIInChI=1S/C14H25NO5/c1-9(16)7-14(11(17)18,10-5-6-10)8-15-12(19)20-13(2,3)4/h9-10,16H,5-8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyROXYUCSHXCYBJE-UHFFFAOYSA-N
XLogP1.76
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclohexylmethyl)-2-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 106489840
2-cyclopropyl-2-(cyclopropylmethoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 106931599
2-cycloheptyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 106487777
2-cyclopropyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(oxan-2-yl)propanoic acid
CID 106489809
2-cyclopropyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(2-methyltetrazol-5-yl)propanoic acid
CID 107067066
2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 106488784
2,2-bis(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 106490227
5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylhexanoic acid
CID 106488758
tert-butyl N-[2-cyclopropyl-2-(ethylamino)propyl]carbamate
CID 103790492
(2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride
CID 153408462
2-(cyclopropylmethyl)-3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
CID 106490255
tert-butyl N-[2-cyclopropyl-2-[1-(1-methylcyclopropyl)ethylamino]propyl]carbamate
CID 107252063

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid?
The IUPAC name of 2-cyclopropyl-4-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid (CID 106489825) is 2-cyclopropyl-4-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid.
What is the SMILES notation for 2-cyclopropyl-4-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid?
The canonical SMILES for 2-cyclopropyl-4-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid is CC(O)CC(CNC(=O)OC(C)(C)C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-4-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid?
The InChIKey is ROXYUCSHXCYBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-9(16)7-14(11(17)18,10-5-6-10)8-15-12(19)20-13(2,3)4/h9-10,16H,5-8H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-cyclopropyl-4-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid?
2-cyclopropyl-4-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid has a molecular weight of 287.36 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid is sourced from PubChem (CID 106489825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).