2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid

C15H27NO7 — CID 137499743

IUPAC2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(CCCO)C(=O)O
InChIInChI=1S/C15H27NO7/c1-14(2,3)22-12(20)16(13(21)23-15(4,5)6)10(11(18)19)8-7-9-17/h10,17H,7-9H2,1-6H3,(H,18,19)
InChIKeyXNFLSKPCQAIIMK-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.38
Rot. Bonds5

About 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid

2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid (PubChem CID 137499743) has the molecular formula C15H27NO7 and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid.

Molecular Properties

Compound Name2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid
PubChem CID137499743
Molecular FormulaC15H27NO7
Molecular Weight333.38 g/mol
Exact Mass333.18
IUPAC Name2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(CCCO)C(=O)O
InChIInChI=1S/C15H27NO7/c1-14(2,3)22-12(20)16(13(21)23-15(4,5)6)10(11(18)19)8-7-9-17/h10,17H,7-9H2,1-6H3,(H,18,19)
InChIKeyXNFLSKPCQAIIMK-UHFFFAOYSA-N
XLogP2.38
TPSA113.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 175182168
tert-butyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-iodopentanoate
CID 134884144
(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 7010348
5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 174175682
tert-butyl (2S,4S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-hydroxy-4-methylhexanoate
CID 101425111
methyl 5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-oxoheptanoate
CID 87471363
(3S)-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(2-hydroxyethyl)pent-4-enoic acid
CID 89422452
(2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 54499711
tert-butyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-bromobutanoate
CID 151197114
(2S)-6-amino-2-[(4-benzoylbenzoyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid
CID 154207553
(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanedioic acid
CID 175964949
tert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate
CID 86028321

Frequently Asked Questions

What is the IUPAC name of 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid?
The IUPAC name of 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid (CID 137499743) is 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid.
What is the SMILES notation for 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid?
The canonical SMILES for 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(CCCO)C(=O)O.
What is the InChIKey of 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid?
The InChIKey is XNFLSKPCQAIIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO7/c1-14(2,3)22-12(20)16(13(21)23-15(4,5)6)10(11(18)19)8-7-9-17/h10,17H,7-9H2,1-6H3,(H,18,19).
What are the key properties of 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid?
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid has a molecular weight of 333.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid is sourced from PubChem (CID 137499743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).