2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid

C20H20N2O5 — CID 162720748

IUPAC2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H20N2O5/c23-18(22-11-19(24)25)9-10-21-20(26)27-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-12H2,(H,21,26)(H,22,23)(H,24,25)
InChIKeyPURQQMVFUFTWPQ-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.12
Rot. Bonds7

About 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid

2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid (PubChem CID 162720748) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid
PubChem CID162720748
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H20N2O5/c23-18(22-11-19(24)25)9-10-21-20(26)27-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-12H2,(H,21,26)(H,22,23)(H,24,25)
InChIKeyPURQQMVFUFTWPQ-UHFFFAOYSA-N
XLogP2.12
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(butanoylamino)propanoic acid;2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetic acid
CID 161068795
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride
CID 18356260
3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]propanoic acid;4-oxohexanoic acid
CID 158307652
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxycarbonylamino]ethoxy]ethoxycarbonylamino]ethoxy]ethoxycarbonylamino]ethoxy]ethoxycarbonylamino]ethoxy]ethoxycarbonylamino]ethoxy]ethoxycarbonylamino]acetic acid
CID 58108393
3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 7005107
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butylamino]acetic acid;hydrochloride
CID 134830437
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;propane
CID 143718788
(2S)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]propanoic acid
CID 122173539
3-(9H-fluoren-9-ylmethoxycarbonylcarbamoylamino)propanoic acid
CID 58223908
4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid
CID 118448290
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate
CID 70700200

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid?
The IUPAC name of 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid (CID 162720748) is 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid.
What is the SMILES notation for 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid?
The canonical SMILES for 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid is O=C(O)CNC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid?
The InChIKey is PURQQMVFUFTWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c23-18(22-11-19(24)25)9-10-21-20(26)27-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-12H2,(H,21,26)(H,22,23)(H,24,25).
What are the key properties of 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid?
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid has a molecular weight of 368.39 g/mol, XLogP of 2.12, 7 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)propanoylamino]acetic acid is sourced from PubChem (CID 162720748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).