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

C11H21NO4 — CID 19753820

IUPAC5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
SMILESCN(CCCCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-10(15)12(4)8-6-5-7-9(13)14/h5-8H2,1-4H3,(H,13,14)
InChIKeyKYNLCVANIZMWBO-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.11
Rot. Bonds5

About 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid

5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid (PubChem CID 19753820) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
PubChem CID19753820
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
SMILESCN(CCCCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-10(15)12(4)8-6-5-7-9(13)14/h5-8H2,1-4H3,(H,13,14)
InChIKeyKYNLCVANIZMWBO-UHFFFAOYSA-N
XLogP2.11
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-((Tert-butoxy)carbonyl)piperidine-3-carboxylic acid
CID 2735647
5-(((Tert-butoxy)carbonyl)amino)pentanoic acid
CID 545848
1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate
CID 643516
[1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid
CID 1512539
(3S)-1-((tert-butoxy)carbonyl)piperidine-3-carboxylic acid
CID 6951168
6-{[(Tert-butoxy)carbonyl](methyl)amino}hexanoic acid
CID 127261591
(S)-2-(1-(tert-butoxycarbonyl)pyrrolidin-3-yl)acetic acid
CID 1502098
(R)-3-Carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 1502099
1-Boc-pyrrolidine-3-acetic acid
CID 4343771
2-[1-(Tert-butoxycarbonyl)piperidin-4-yl]propanoic acid
CID 17781891
2-{1-[(Tert-butoxy)carbonyl]-4-methylpiperidin-4-yl}acetic acid
CID 45480312
1,3-Piperidinedicarboxylic acid, 5-methyl-, 1-(1,1-dimethylethyl) ester
CID 66786454

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The IUPAC name of 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid (CID 19753820) is 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid.
What is the SMILES notation for 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The canonical SMILES for 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid is CN(CCCCC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The InChIKey is KYNLCVANIZMWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-11(2,3)16-10(15)12(4)8-6-5-7-9(13)14/h5-8H2,1-4H3,(H,13,14).
What are the key properties of 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid has a molecular weight of 231.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid is sourced from PubChem (CID 19753820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).