(2S)-2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyrazol-1-yl]propanoic acid

C24H23N3O4 — CID 169469905

IUPAC(2S)-2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyrazol-1-yl]propanoic acid
SMILESC[C@@H](C(=O)O)n1cc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cn1
InChIInChI=1S/C24H23N3O4/c1-16(23(28)29)27-14-17(13-26-27)7-6-12-25-24(30)31-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-11,13-14,16,22H,12,15H2,1H3,(H,25,30)(H,28,29)/t16-/m0/s1
InChIKeyBYHVLNSSAYAOCV-INIZCTEOSA-N
MW417.47 g/mol
LogP4.08
Rot. Bonds7

About (2S)-2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyrazol-1-yl]propanoic acid

(2S)-2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyrazol-1-yl]propanoic acid (PubChem CID 169469905) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is (2S)-2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyrazol-1-yl]propanoic acid
PubChem CID169469905
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name(2S)-2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyrazol-1-yl]propanoic acid
SMILESC[C@@H](C(=O)O)n1cc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cn1
InChIInChI=1S/C24H23N3O4/c1-16(23(28)29)27-14-17(13-26-27)7-6-12-25-24(30)31-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-11,13-14,16,22H,12,15H2,1H3,(H,25,30)(H,28,29)/t16-/m0/s1
InChIKeyBYHVLNSSAYAOCV-INIZCTEOSA-N
XLogP4.08
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyrazol-1-yl]propanoic acid with MolForge

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Related Compounds

(2S)-2-[4-[3-(phenylmethoxycarbonylamino)prop-1-enyl]pyrazol-1-yl]propanoic acid
CID 169471962
9H-fluoren-9-ylmethyl N-[3-[1-(3-methylphenyl)pyrazol-4-yl]prop-2-enyl]carbamate
CID 169470910
9H-fluoren-9-ylmethyl N-(3-pyridin-3-ylprop-2-enyl)carbamate
CID 169468939
9H-fluoren-9-ylmethyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate
CID 169470328
9H-fluoren-9-ylmethyl N-[3-[1-(2-nitrophenyl)pyrazol-4-yl]prop-2-enyl]carbamate
CID 169470552
9H-fluoren-9-ylmethyl N-[3-(6-ethoxy-3-pyridinyl)prop-2-enyl]carbamate
CID 169469649
2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenyl]-2-methylpropanoic acid
CID 169470392
9H-fluoren-9-ylmethyl N-[3-(5-formyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169469299
9H-fluoren-9-ylmethyl N-[3-(4-pyrazol-1-ylphenyl)prop-2-enyl]carbamate
CID 169470287
2-amino-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylic acid
CID 169469902
9H-fluoren-9-ylmethyl N-[3-(5-methyl-1-propylpyrazol-4-yl)prop-2-enyl]carbamate
CID 169470899
9H-fluoren-9-ylmethyl N-[3-(2-methyl-4-pyridinyl)prop-2-enyl]carbamate
CID 169469022

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of (2S)-2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyrazol-1-yl]propanoic acid (CID 169469905) is (2S)-2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for (2S)-2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyrazol-1-yl]propanoic acid is C[C@@H](C(=O)O)n1cc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cn1.
What is the InChIKey of (2S)-2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyrazol-1-yl]propanoic acid?
The InChIKey is BYHVLNSSAYAOCV-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-16(23(28)29)27-14-17(13-26-27)7-6-12-25-24(30)31-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-11,13-14,16,22H,12,15H2,1H3,(H,25,30)(H,28,29)/t16-/m0/s1.
What are the key properties of (2S)-2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyrazol-1-yl]propanoic acid?
(2S)-2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyrazol-1-yl]propanoic acid has a molecular weight of 417.47 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 169469905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).