2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]methyl]cyclopropane-1-carboxylic acid

C27H32N2O5 — CID 165456115

IUPAC2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCCCCC(CC(=O)NCC1CC1C(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H32N2O5/c1-2-3-8-18(14-25(30)28-15-17-13-23(17)26(31)32)29-27(33)34-16-24-21-11-6-4-9-19(21)20-10-5-7-12-22(20)24/h4-7,9-12,17-18,23-24H,2-3,8,13-16H2,1H3,(H,28,30)(H,29,33)(H,31,32)
InChIKeyNTLDFWSGLDIMKZ-UHFFFAOYSA-N
MW464.56 g/mol
LogP4.31
Rot. Bonds11

About 2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]methyl]cyclopropane-1-carboxylic acid

2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 165456115) has the molecular formula C27H32N2O5 and a molecular weight of 464.56 g/mol. Its IUPAC name is 2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID165456115
Molecular FormulaC27H32N2O5
Molecular Weight464.56 g/mol
Exact Mass464.23
IUPAC Name2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCCCCC(CC(=O)NCC1CC1C(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H32N2O5/c1-2-3-8-18(14-25(30)28-15-17-13-23(17)26(31)32)29-27(33)34-16-24-21-11-6-4-9-19(21)20-10-5-7-12-22(20)24/h4-7,9-12,17-18,23-24H,2-3,8,13-16H2,1H3,(H,28,30)(H,29,33)(H,31,32)
InChIKeyNTLDFWSGLDIMKZ-UHFFFAOYSA-N
XLogP4.31
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]methyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

trans-(1R,2S)-2-[[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 178196251
trans-(1R,2S)-2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 178195647
trans-(1R,2S)-2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 178193456
trans-(1R,2S)-2-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 178193411
(3R,4R)-1-[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 178198448
(3R,4R)-1-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 178193047
(2R)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]-3-methylbutanoic acid
CID 165461568
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid
CID 95897978
trans-(1R,2S)-2-[[[(3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-5-methylhexanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 178195744
(1S,2R,4R,5S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4,5-dihydroxycyclohexane-1-carboxylic acid
CID 155821553
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate
CID 57359373
trans-(1R,2S)-2-[[[(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxybutanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 178193669

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]methyl]cyclopropane-1-carboxylic acid (CID 165456115) is 2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]methyl]cyclopropane-1-carboxylic acid is CCCCC(CC(=O)NCC1CC1C(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is NTLDFWSGLDIMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O5/c1-2-3-8-18(14-25(30)28-15-17-13-23(17)26(31)32)29-27(33)34-16-24-21-11-6-4-9-19(21)20-10-5-7-12-22(20)24/h4-7,9-12,17-18,23-24H,2-3,8,13-16H2,1H3,(H,28,30)(H,29,33)(H,31,32).
What are the key properties of 2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]methyl]cyclopropane-1-carboxylic acid?
2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 464.56 g/mol, XLogP of 4.31, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 165456115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).