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

C12H23NO4 — CID 19753883

IUPACmethyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
SMILESCOC(=O)CCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO4/c1-12(2,3)17-11(15)13(4)9-7-6-8-10(14)16-5/h6-9H2,1-5H3
InChIKeyMFTYFRRACGZPDJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.20
Rot. Bonds5

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

methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate (PubChem CID 19753883) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
PubChem CID19753883
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Namemethyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
SMILESCOC(=O)CCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO4/c1-12(2,3)17-11(15)13(4)9-7-6-8-10(14)16-5/h6-9H2,1-5H3
InChIKeyMFTYFRRACGZPDJ-UHFFFAOYSA-N
XLogP2.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(tert-Butoxycarbonyl)(methyl)amino]pentanoic acid
CID 19753820
Tert-butyl 3-(3-methoxy-3-oxopropyl)azetidine-1-carboxylate
CID 126580665
tert-Butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
CID 1514280
N-Boc-4-piperidineacetate
CID 6987998
Tert-butyl 5-[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 172295716
Methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxopentanoate
CID 12121519
5-[[(1,1-dimethylethoxy)carbonyl]amino]Pentanoic acid methyl ester
CID 13112353
N-t-butoxycarbonyl-beta-carbomethoxyethyl-aziridine
CID 15933186
tert-butyl (2S)-2-(3-methoxy-3-oxopropyl)aziridine-1-carboxylate
CID 22870048
Ethyl 5-[methoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 53672858
5-[Ethoxycarbonyl(methyl)amino]pentanoic acid
CID 57556027
lithium cis-(1R,2R)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylate
CID 57918247

Frequently Asked Questions

What is the IUPAC name of methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
The IUPAC name of methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate (CID 19753883) is methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate.
What is the SMILES notation for methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
The canonical SMILES for methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate is COC(=O)CCCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
The InChIKey is MFTYFRRACGZPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-12(2,3)17-11(15)13(4)9-7-6-8-10(14)16-5/h6-9H2,1-5H3.
What are the key properties of methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate has a molecular weight of 245.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate is sourced from PubChem (CID 19753883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).