(2S)-2-(aminomethyl)-3-(9H-fluoren-9-ylmethoxy)-2-hydroxy-3-oxopropanoic acid

C18H17NO5 — CID 178186306

IUPAC(2S)-2-(aminomethyl)-3-(9H-fluoren-9-ylmethoxy)-2-hydroxy-3-oxopropanoic acid
SMILESNC[C@](O)(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H17NO5/c19-10-18(23,16(20)21)17(22)24-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15,23H,9-10,19H2,(H,20,21)/t18-/m0/s1
InChIKeyHRDGUCXNTIAZLD-SFHVURJKSA-N
MW327.34 g/mol
LogP1.12
Rot. Bonds5

About (2S)-2-(aminomethyl)-3-(9H-fluoren-9-ylmethoxy)-2-hydroxy-3-oxopropanoic acid

(2S)-2-(aminomethyl)-3-(9H-fluoren-9-ylmethoxy)-2-hydroxy-3-oxopropanoic acid (PubChem CID 178186306) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is (2S)-2-(aminomethyl)-3-(9H-fluoren-9-ylmethoxy)-2-hydroxy-3-oxopropanoic acid.

Molecular Properties

Compound Name(2S)-2-(aminomethyl)-3-(9H-fluoren-9-ylmethoxy)-2-hydroxy-3-oxopropanoic acid
PubChem CID178186306
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name(2S)-2-(aminomethyl)-3-(9H-fluoren-9-ylmethoxy)-2-hydroxy-3-oxopropanoic acid
SMILESNC[C@](O)(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H17NO5/c19-10-18(23,16(20)21)17(22)24-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15,23H,9-10,19H2,(H,20,21)/t18-/m0/s1
InChIKeyHRDGUCXNTIAZLD-SFHVURJKSA-N
XLogP1.12
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxo-3-phenylbutanoic acid
CID 53394998
9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate
CID 59446298
2-(aminomethyl)-3-(9H-fluoren-9-ylmethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoic acid
CID 175844377
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
(2S)-3-(9H-fluoren-9-ylmethoxy)-2-methyl-3-oxo-2-(N-phenylanilino)propanoic acid
CID 68509314
(3R)-3-amino-3-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 44593833
4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate
CID 6612799
(2S,3S)-2-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-3-methoxybutanoic acid
CID 56923842
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
(2S,3S,4R,5R)-2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 140635553

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(aminomethyl)-3-(9H-fluoren-9-ylmethoxy)-2-hydroxy-3-oxopropanoic acid?
The IUPAC name of (2S)-2-(aminomethyl)-3-(9H-fluoren-9-ylmethoxy)-2-hydroxy-3-oxopropanoic acid (CID 178186306) is (2S)-2-(aminomethyl)-3-(9H-fluoren-9-ylmethoxy)-2-hydroxy-3-oxopropanoic acid.
What is the SMILES notation for (2S)-2-(aminomethyl)-3-(9H-fluoren-9-ylmethoxy)-2-hydroxy-3-oxopropanoic acid?
The canonical SMILES for (2S)-2-(aminomethyl)-3-(9H-fluoren-9-ylmethoxy)-2-hydroxy-3-oxopropanoic acid is NC[C@](O)(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2S)-2-(aminomethyl)-3-(9H-fluoren-9-ylmethoxy)-2-hydroxy-3-oxopropanoic acid?
The InChIKey is HRDGUCXNTIAZLD-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17NO5/c19-10-18(23,16(20)21)17(22)24-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15,23H,9-10,19H2,(H,20,21)/t18-/m0/s1.
What are the key properties of (2S)-2-(aminomethyl)-3-(9H-fluoren-9-ylmethoxy)-2-hydroxy-3-oxopropanoic acid?
(2S)-2-(aminomethyl)-3-(9H-fluoren-9-ylmethoxy)-2-hydroxy-3-oxopropanoic acid has a molecular weight of 327.34 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(aminomethyl)-3-(9H-fluoren-9-ylmethoxy)-2-hydroxy-3-oxopropanoic acid is sourced from PubChem (CID 178186306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).