(2R)-2-amino-1-[16-[(2R)-2-aminopropanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-1-one

C18H36N4O6 — CID 7312664

IUPAC(2R)-2-amino-1-[16-[(2R)-2-aminopropanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCOCCOCCN(C(=O)[C@@H](C)N)CCOCCOCC1
InChIInChI=1S/C18H36N4O6/c1-15(19)17(23)21-3-7-25-11-13-27-9-5-22(18(24)16(2)20)6-10-28-14-12-26-8-4-21/h15-16H,3-14,19-20H2,1-2H3/t15-,16-/m1/s1
InChIKeyIILZRNRJZPPHNX-HZPDHXFCSA-N
MW404.51 g/mol
LogP-1.58
Rot. Bonds2

About (2R)-2-amino-1-[16-[(2R)-2-aminopropanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-1-one

(2R)-2-amino-1-[16-[(2R)-2-aminopropanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-1-one (PubChem CID 7312664) has the molecular formula C18H36N4O6 and a molecular weight of 404.51 g/mol. Its IUPAC name is (2R)-2-amino-1-[16-[(2R)-2-aminopropanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[16-[(2R)-2-aminopropanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-1-one
PubChem CID7312664
Molecular FormulaC18H36N4O6
Molecular Weight404.51 g/mol
Exact Mass404.26
IUPAC Name(2R)-2-amino-1-[16-[(2R)-2-aminopropanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCOCCOCCN(C(=O)[C@@H](C)N)CCOCCOCC1
InChIInChI=1S/C18H36N4O6/c1-15(19)17(23)21-3-7-25-11-13-27-9-5-22(18(24)16(2)20)6-10-28-14-12-26-8-4-21/h15-16H,3-14,19-20H2,1-2H3/t15-,16-/m1/s1
InChIKeyIILZRNRJZPPHNX-HZPDHXFCSA-N
XLogP-1.58
TPSA129.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2R)-2-amino-1-[16-[(2R)-2-aminopropanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-1-one with MolForge

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Related Compounds

2-Amino-1-[16-(2-aminopropanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-YL]propan-1-one
CID 622143
N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]propanamide
CID 142615926
N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide
CID 142616305
4,13-Diaza-1,7,10,16-tetraoxacyclooctadecane, 4,13-diglycyl-
CID 619625
2-[2-(1,4,10,13-Tetraoxa-7,16-diazacyclooctadec-7-yl)propanoylamino]acetic acid
CID 91038717
2-(methylamino)-N-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 176433229
2-Amino-1-[10-(2-aminopropanoyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]propan-1-one
CID 3110896
2-Amino-1-[16-(2-aminobutanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]butan-1-one
CID 3122875
2-Amino-3-methyl-1-(1,4,7-trioxa-10-azacyclododecan-10-yl)butan-1-one
CID 3763341
2-Amino-1-[16-(2-amino-4-methylpentanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-4-methylpentan-1-one
CID 559946
2-Amino-1-[13-(2-aminopropanoyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]propan-1-one
CID 3110897
N-methyl-2-[13-[2-(methylamino)-2-oxoethyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide
CID 10044074

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[16-[(2R)-2-aminopropanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[16-[(2R)-2-aminopropanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-1-one (CID 7312664) is (2R)-2-amino-1-[16-[(2R)-2-aminopropanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[16-[(2R)-2-aminopropanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[16-[(2R)-2-aminopropanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-1-one is C[C@@H](N)C(=O)N1CCOCCOCCN(C(=O)[C@@H](C)N)CCOCCOCC1.
What is the InChIKey of (2R)-2-amino-1-[16-[(2R)-2-aminopropanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-1-one?
The InChIKey is IILZRNRJZPPHNX-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H36N4O6/c1-15(19)17(23)21-3-7-25-11-13-27-9-5-22(18(24)16(2)20)6-10-28-14-12-26-8-4-21/h15-16H,3-14,19-20H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of (2R)-2-amino-1-[16-[(2R)-2-aminopropanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-1-one?
(2R)-2-amino-1-[16-[(2R)-2-aminopropanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-1-one has a molecular weight of 404.51 g/mol, XLogP of -1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[16-[(2R)-2-aminopropanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-1-one is sourced from PubChem (CID 7312664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).