5-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

C10H19NO5 — CID 174389301

IUPAC5-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)(C)OC(=O)NC(O)CCCC(=O)O
InChIInChI=1S/C10H19NO5/c1-10(2,3)16-9(15)11-7(12)5-4-6-8(13)14/h7,12H,4-6H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyVWQXKSODGLFZGS-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.08
Rot. Bonds5

About 5-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

5-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (PubChem CID 174389301) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 5-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.

Molecular Properties

Compound Name5-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
PubChem CID174389301
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name5-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)(C)OC(=O)NC(O)CCCC(=O)O
InChIInChI=1S/C10H19NO5/c1-10(2,3)16-9(15)11-7(12)5-4-6-8(13)14/h7,12H,4-6H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyVWQXKSODGLFZGS-UHFFFAOYSA-N
XLogP1.08
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanedioic acid
CID 12879022
(5R,7S)-8-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonyl]-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxooctanoic acid
CID 122216767
(5R,6R)-5-amino-7-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoic acid
CID 122221243
4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]butanoic acid
CID 59775131
tert-butyl N-[(1S)-5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-1-hydroxypentyl]carbamate
CID 135325014
(4R)-4-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 169118256
(3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 118276545
[(2S)-1-amino-4-carboxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-oxosulfanium
CID 175364976
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pentanoic acid
CID 170107362
(3S)-6-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
CID 162371906
tert-butyl 5-iodo-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 87766982
12-[2-[(2-methylpropan-2-yl)oxycarbonylamino]dodecanoylamino]dodecanoic acid
CID 18512804

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The IUPAC name of 5-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (CID 174389301) is 5-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.
What is the SMILES notation for 5-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The canonical SMILES for 5-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is CC(C)(C)OC(=O)NC(O)CCCC(=O)O.
What is the InChIKey of 5-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The InChIKey is VWQXKSODGLFZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-10(2,3)16-9(15)11-7(12)5-4-6-8(13)14/h7,12H,4-6H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 5-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
5-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid has a molecular weight of 233.26 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is sourced from PubChem (CID 174389301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).