(2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid

C21H21NO5 — CID 177277763

IUPAC(2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid
SMILESO=C(N[C@@H](C(=O)O)[C@@H](O)C1CC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H21NO5/c23-19(12-9-10-12)18(20(24)25)22-21(26)27-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-19,23H,9-11H2,(H,22,26)(H,24,25)/t18-,19+/m1/s1
InChIKeyZYAQPOPFYGVYTI-MOPGFXCFSA-N
MW367.40 g/mol
LogP2.75
Rot. Bonds6

About (2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid

(2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid (PubChem CID 177277763) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is (2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid
PubChem CID177277763
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name(2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid
SMILESO=C(N[C@@H](C(=O)O)[C@@H](O)C1CC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H21NO5/c23-19(12-9-10-12)18(20(24)25)22-21(26)27-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-19,23H,9-11H2,(H,22,26)(H,24,25)/t18-,19+/m1/s1
InChIKeyZYAQPOPFYGVYTI-MOPGFXCFSA-N
XLogP2.75
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
CID 6992534
(2R)-2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 7146280
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851
3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 75110601
(2S,5R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,4,5,6-tetrahydroxyhexanoic acid
CID 121402913
(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanedioic acid
CID 69296136
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-3-sulfanylpropanoic acid
CID 135021468
(2S,3S)-5-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-oxopentanoic acid
CID 102324396
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxysulfanyloxybutanoic acid
CID 175695247
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
CID 171934882
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid?
The IUPAC name of (2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid (CID 177277763) is (2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for (2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid?
The canonical SMILES for (2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid is O=C(N[C@@H](C(=O)O)[C@@H](O)C1CC1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid?
The InChIKey is ZYAQPOPFYGVYTI-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H21NO5/c23-19(12-9-10-12)18(20(24)25)22-21(26)27-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-19,23H,9-11H2,(H,22,26)(H,24,25)/t18-,19+/m1/s1.
What are the key properties of (2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid?
(2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid has a molecular weight of 367.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 177277763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).