2-(butoxycarbonylamino)-2-hydroxypentanoic acid

C10H19NO5 — CID 87889866

IUPAC2-(butoxycarbonylamino)-2-hydroxypentanoic acid
SMILESCCCCOC(=O)NC(O)(CCC)C(=O)O
InChIInChI=1S/C10H19NO5/c1-3-5-7-16-9(14)11-10(15,6-4-2)8(12)13/h15H,3-7H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyVIVXGOLQRQRRGZ-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.09
Rot. Bonds7

About 2-(butoxycarbonylamino)-2-hydroxypentanoic acid

2-(butoxycarbonylamino)-2-hydroxypentanoic acid (PubChem CID 87889866) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-(butoxycarbonylamino)-2-hydroxypentanoic acid.

Molecular Properties

Compound Name2-(butoxycarbonylamino)-2-hydroxypentanoic acid
PubChem CID87889866
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name2-(butoxycarbonylamino)-2-hydroxypentanoic acid
SMILESCCCCOC(=O)NC(O)(CCC)C(=O)O
InChIInChI=1S/C10H19NO5/c1-3-5-7-16-9(14)11-10(15,6-4-2)8(12)13/h15H,3-7H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyVIVXGOLQRQRRGZ-UHFFFAOYSA-N
XLogP1.09
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(butoxycarbonylamino)-2-propylpentanoic acid
CID 87963773
2,2-bis(butoxycarbonylamino)butanedioic acid
CID 21313448
butyl 2-[(2-aminoacetyl)amino]-2-hydroxypentanoate
CID 142691170
butoxycarbonylcarbamic acid
CID 22136826
4-(2-carboxyethyl)-4-(docosoxycarbonylamino)heptanedioic acid
CID 44572434
4-(2-carboxyethyl)-4-(heptadecoxycarbonylamino)heptanedioic acid
CID 71593431
4-methyl-4-(nonadecoxycarbonylamino)heptanedioic acid
CID 54584287
2-(5-amino-2-oxopentanoyl)-2-(butoxycarbonylamino)pentanedioic acid
CID 175302430
calcium;butyl hydrogen carbonate;hydride
CID 173385932
2-(butoxycarbonylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 87697648
butyl N-(butoxycarbonylsulfamoyl)carbamate
CID 71414094
butyl hydrogen carbonate
CID 157271096

Frequently Asked Questions

What is the IUPAC name of 2-(butoxycarbonylamino)-2-hydroxypentanoic acid?
The IUPAC name of 2-(butoxycarbonylamino)-2-hydroxypentanoic acid (CID 87889866) is 2-(butoxycarbonylamino)-2-hydroxypentanoic acid.
What is the SMILES notation for 2-(butoxycarbonylamino)-2-hydroxypentanoic acid?
The canonical SMILES for 2-(butoxycarbonylamino)-2-hydroxypentanoic acid is CCCCOC(=O)NC(O)(CCC)C(=O)O.
What is the InChIKey of 2-(butoxycarbonylamino)-2-hydroxypentanoic acid?
The InChIKey is VIVXGOLQRQRRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-3-5-7-16-9(14)11-10(15,6-4-2)8(12)13/h15H,3-7H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 2-(butoxycarbonylamino)-2-hydroxypentanoic acid?
2-(butoxycarbonylamino)-2-hydroxypentanoic acid has a molecular weight of 233.26 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxycarbonylamino)-2-hydroxypentanoic acid is sourced from PubChem (CID 87889866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).