2,2-diamino-3-(9H-fluoren-1-ylmethoxycarbonyl)heptanedioic acid

C22H24N2O6 — CID 174973010

IUPAC2,2-diamino-3-(9H-fluoren-1-ylmethoxycarbonyl)heptanedioic acid
SMILESNC(N)(C(=O)O)C(CCCC(=O)O)C(=O)OCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C22H24N2O6/c23-22(24,21(28)29)18(9-4-10-19(25)26)20(27)30-12-14-6-3-8-16-15-7-2-1-5-13(15)11-17(14)16/h1-3,5-8,18H,4,9-12,23-24H2,(H,25,26)(H,28,29)
InChIKeyKRWZRXBHVIDTEF-UHFFFAOYSA-N
MW412.44 g/mol
LogP1.87
Rot. Bonds9

About 2,2-diamino-3-(9H-fluoren-1-ylmethoxycarbonyl)heptanedioic acid

2,2-diamino-3-(9H-fluoren-1-ylmethoxycarbonyl)heptanedioic acid (PubChem CID 174973010) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is 2,2-diamino-3-(9H-fluoren-1-ylmethoxycarbonyl)heptanedioic acid.

Molecular Properties

Compound Name2,2-diamino-3-(9H-fluoren-1-ylmethoxycarbonyl)heptanedioic acid
PubChem CID174973010
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Name2,2-diamino-3-(9H-fluoren-1-ylmethoxycarbonyl)heptanedioic acid
SMILESNC(N)(C(=O)O)C(CCCC(=O)O)C(=O)OCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C22H24N2O6/c23-22(24,21(28)29)18(9-4-10-19(25)26)20(27)30-12-14-6-3-8-16-15-7-2-1-5-13(15)11-17(14)16/h1-3,5-8,18H,4,9-12,23-24H2,(H,25,26)(H,28,29)
InChIKeyKRWZRXBHVIDTEF-UHFFFAOYSA-N
XLogP1.87
TPSA152.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,2-diamino-3-(9H-fluoren-1-ylmethoxycarbonyl)heptanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluoren-1-ylmethyl 2-chlorohexanoate
CID 175075714
3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid
CID 23220870
(2S,3S)-2-amino-2-(9H-fluoren-1-ylmethoxycarbonyl)-3-methylpentanoic acid
CID 139831866
13-(9H-fluoren-1-yl)tridecanoic acid
CID 175383257
9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
CID 66742349
9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate
CID 152662857
3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid
CID 174897078
2,6-diaminohexanoic acid;9H-fluoren-1-ylmethyl carbonochloridate
CID 175563676
(2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid
CID 14767788
(2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 165175181
4-[(9H-fluoren-1-ylmethoxycarbonylamino)methyl]benzoic acid
CID 67426893
9H-fluoren-1-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate
CID 70186299

Frequently Asked Questions

What is the IUPAC name of 2,2-diamino-3-(9H-fluoren-1-ylmethoxycarbonyl)heptanedioic acid?
The IUPAC name of 2,2-diamino-3-(9H-fluoren-1-ylmethoxycarbonyl)heptanedioic acid (CID 174973010) is 2,2-diamino-3-(9H-fluoren-1-ylmethoxycarbonyl)heptanedioic acid.
What is the SMILES notation for 2,2-diamino-3-(9H-fluoren-1-ylmethoxycarbonyl)heptanedioic acid?
The canonical SMILES for 2,2-diamino-3-(9H-fluoren-1-ylmethoxycarbonyl)heptanedioic acid is NC(N)(C(=O)O)C(CCCC(=O)O)C(=O)OCc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 2,2-diamino-3-(9H-fluoren-1-ylmethoxycarbonyl)heptanedioic acid?
The InChIKey is KRWZRXBHVIDTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6/c23-22(24,21(28)29)18(9-4-10-19(25)26)20(27)30-12-14-6-3-8-16-15-7-2-1-5-13(15)11-17(14)16/h1-3,5-8,18H,4,9-12,23-24H2,(H,25,26)(H,28,29).
What are the key properties of 2,2-diamino-3-(9H-fluoren-1-ylmethoxycarbonyl)heptanedioic acid?
2,2-diamino-3-(9H-fluoren-1-ylmethoxycarbonyl)heptanedioic acid has a molecular weight of 412.44 g/mol, XLogP of 1.87, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diamino-3-(9H-fluoren-1-ylmethoxycarbonyl)heptanedioic acid is sourced from PubChem (CID 174973010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).