2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride

C19H21ClN2O4 — CID 18356260

IUPAC2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride
SMILESCl.O=C(O)CNCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20N2O4.ClH/c22-18(23)11-20-9-10-21-19(24)25-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17;/h1-8,17,20H,9-12H2,(H,21,24)(H,22,23);1H
InChIKeyVHKRRSOYXRZULH-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.62
Rot. Bonds7

About 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride

2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride (PubChem CID 18356260) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride
PubChem CID18356260
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride
SMILESCl.O=C(O)CNCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20N2O4.ClH/c22-18(23)11-20-9-10-21-19(24)25-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17;/h1-8,17,20H,9-12H2,(H,21,24)(H,22,23);1H
InChIKeyVHKRRSOYXRZULH-UHFFFAOYSA-N
XLogP2.62
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;propane
CID 143718788
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butylamino]acetic acid;hydrochloride
CID 134830437
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid
CID 162720748
prop-2-enyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetate
CID 23551074
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-ylmethoxycarbonylcarbamoylamino)propanoic acid
CID 58223908
4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid
CID 118448290
4-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexoxy]-4-oxobutanoic acid
CID 70264065
9H-fluoren-9-ylmethyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride
CID 2756222
9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
CID 139208949
3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 7005107

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride?
The IUPAC name of 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride (CID 18356260) is 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride?
The canonical SMILES for 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride is Cl.O=C(O)CNCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride?
The InChIKey is VHKRRSOYXRZULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4.ClH/c22-18(23)11-20-9-10-21-19(24)25-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17;/h1-8,17,20H,9-12H2,(H,21,24)(H,22,23);1H.
What are the key properties of 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride?
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride has a molecular weight of 376.84 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride is sourced from PubChem (CID 18356260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).