10-[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentoxy]decanoic acid

C20H38N2O6 — CID 155189688

IUPAC10-[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentoxy]decanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CCC(N)=O)COCCCCCCCCCC(=O)O
InChIInChI=1S/C20H38N2O6/c1-20(2,3)28-19(26)22-16(12-13-17(21)23)15-27-14-10-8-6-4-5-7-9-11-18(24)25/h16H,4-15H2,1-3H3,(H2,21,23)(H,22,26)(H,24,25)/t16-/m0/s1
InChIKeyDPPMCESWFHDTLU-INIZCTEOSA-N
MW402.53 g/mol
LogP3.37
Rot. Bonds16

About 10-[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentoxy]decanoic acid

10-[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentoxy]decanoic acid (PubChem CID 155189688) has the molecular formula C20H38N2O6 and a molecular weight of 402.53 g/mol. Its IUPAC name is 10-[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentoxy]decanoic acid.

Molecular Properties

Compound Name10-[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentoxy]decanoic acid
PubChem CID155189688
Molecular FormulaC20H38N2O6
Molecular Weight402.53 g/mol
Exact Mass402.27
IUPAC Name10-[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentoxy]decanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CCC(N)=O)COCCCCCCCCCC(=O)O
InChIInChI=1S/C20H38N2O6/c1-20(2,3)28-19(26)22-16(12-13-17(21)23)15-27-14-10-8-6-4-5-7-9-11-18(24)25/h16H,4-15H2,1-3H3,(H2,21,23)(H,22,26)(H,24,25)/t16-/m0/s1
InChIKeyDPPMCESWFHDTLU-INIZCTEOSA-N
XLogP3.37
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.53
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S)-1,5-diamino-5-oxopentan-2-yl]carbamate
CID 176793158
9-[(2S)-5-amino-2-methyl-5-oxopentoxy]nonanoic acid
CID 167679517
tert-butyl N-[(2S)-1-dodecoxy-3-hydroxypropan-2-yl]carbamate
CID 101232205
(3S)-6-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoate
CID 7010014
tert-butyl N-[5-amino-1-[(2-bromophenyl)methoxy]-5-oxopentan-2-yl]carbamate
CID 155707526
tert-butyl N-[5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 23256080
(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoic acid
CID 102427058
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanedioic acid
CID 12879022
tert-butyl N-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate
CID 175023120
5-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 174389301
5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanethioic S-acid
CID 175192087
(3S)-6-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
CID 162371906

Frequently Asked Questions

What is the IUPAC name of 10-[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentoxy]decanoic acid?
The IUPAC name of 10-[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentoxy]decanoic acid (CID 155189688) is 10-[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentoxy]decanoic acid.
What is the SMILES notation for 10-[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentoxy]decanoic acid?
The canonical SMILES for 10-[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentoxy]decanoic acid is CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)COCCCCCCCCCC(=O)O.
What is the InChIKey of 10-[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentoxy]decanoic acid?
The InChIKey is DPPMCESWFHDTLU-INIZCTEOSA-N. The full InChI is InChI=1S/C20H38N2O6/c1-20(2,3)28-19(26)22-16(12-13-17(21)23)15-27-14-10-8-6-4-5-7-9-11-18(24)25/h16H,4-15H2,1-3H3,(H2,21,23)(H,22,26)(H,24,25)/t16-/m0/s1.
What are the key properties of 10-[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentoxy]decanoic acid?
10-[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentoxy]decanoic acid has a molecular weight of 402.53 g/mol, XLogP of 3.37, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentoxy]decanoic acid is sourced from PubChem (CID 155189688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).