3-(9H-fluoren-9-ylmethoxycarbonylcarbamoylamino)propanoic acid

C19H18N2O5 — CID 58223908

IUPAC3-(9H-fluoren-9-ylmethoxycarbonylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H18N2O5/c22-17(23)9-10-20-18(24)21-19(25)26-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,22,23)(H2,20,21,24,25)
InChIKeyBLNAPRHLQJMITB-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.71
Rot. Bonds5

About 3-(9H-fluoren-9-ylmethoxycarbonylcarbamoylamino)propanoic acid

3-(9H-fluoren-9-ylmethoxycarbonylcarbamoylamino)propanoic acid (PubChem CID 58223908) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 3-(9H-fluoren-9-ylmethoxycarbonylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(9H-fluoren-9-ylmethoxycarbonylcarbamoylamino)propanoic acid
PubChem CID58223908
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name3-(9H-fluoren-9-ylmethoxycarbonylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H18N2O5/c22-17(23)9-10-20-18(24)21-19(25)26-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,22,23)(H2,20,21,24,25)
InChIKeyBLNAPRHLQJMITB-UHFFFAOYSA-N
XLogP2.71
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid
CID 162720748
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
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
9H-fluoren-9-ylmethyl N-benzoylcarbamate
CID 10020316
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;propane
CID 143718788
3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 7005107
3-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]propanoic acid
CID 165447312
4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid
CID 118448290
3-(butanoylamino)propanoic acid;2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetic acid
CID 161068795
9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate
CID 70700200
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butylamino]acetic acid;hydrochloride
CID 134830437

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-ylmethoxycarbonylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(9H-fluoren-9-ylmethoxycarbonylcarbamoylamino)propanoic acid (CID 58223908) is 3-(9H-fluoren-9-ylmethoxycarbonylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(9H-fluoren-9-ylmethoxycarbonylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(9H-fluoren-9-ylmethoxycarbonylcarbamoylamino)propanoic acid is O=C(O)CCNC(=O)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-(9H-fluoren-9-ylmethoxycarbonylcarbamoylamino)propanoic acid?
The InChIKey is BLNAPRHLQJMITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c22-17(23)9-10-20-18(24)21-19(25)26-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,22,23)(H2,20,21,24,25).
What are the key properties of 3-(9H-fluoren-9-ylmethoxycarbonylcarbamoylamino)propanoic acid?
3-(9H-fluoren-9-ylmethoxycarbonylcarbamoylamino)propanoic acid has a molecular weight of 354.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-ylmethoxycarbonylcarbamoylamino)propanoic acid is sourced from PubChem (CID 58223908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).