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

C15H27NO6 — CID 175182168

IUPAC2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
SMILESCCCC(C(=O)O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO6/c1-8-9-10(11(17)18)16(12(19)21-14(2,3)4)13(20)22-15(5,6)7/h10H,8-9H2,1-7H3,(H,17,18)
InChIKeyCBEOPVOUPYHCLI-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.41
Rot. Bonds4

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

2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid (PubChem CID 175182168) has the molecular formula C15H27NO6 and a molecular weight of 317.38 g/mol. Its IUPAC name is 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
PubChem CID175182168
Molecular FormulaC15H27NO6
Molecular Weight317.38 g/mol
Exact Mass317.18
IUPAC Name2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
SMILESCCCC(C(=O)O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO6/c1-8-9-10(11(17)18)16(12(19)21-14(2,3)4)13(20)22-15(5,6)7/h10H,8-9H2,1-7H3,(H,17,18)
InChIKeyCBEOPVOUPYHCLI-UHFFFAOYSA-N
XLogP3.41
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid
CID 137499743
(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 7010348
tert-butyl 2-[acetyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 164725863
tert-butyl N-hex-1-en-3-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 14143447
(2S,3S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylpentanoic acid
CID 22806266
ethyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-ethoxypropanoate
CID 12968906
tert-butyl N-methyl-N-[(2S)-pentan-2-yl]carbamate
CID 141142694
(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)-2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-3-sulfanylpropanoic acid
CID 87312791
(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanedioic acid
CID 175964949
7-O-tert-butyl 1-O-ethyl (2R,6S)-2-amino-6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanedioate
CID 11328976

Frequently Asked Questions

What is the IUPAC name of 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The IUPAC name of 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid (CID 175182168) is 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid.
What is the SMILES notation for 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The canonical SMILES for 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid is CCCC(C(=O)O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The InChIKey is CBEOPVOUPYHCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO6/c1-8-9-10(11(17)18)16(12(19)21-14(2,3)4)13(20)22-15(5,6)7/h10H,8-9H2,1-7H3,(H,17,18).
What are the key properties of 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid has a molecular weight of 317.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid is sourced from PubChem (CID 175182168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).