(2R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoic acid

C21H23NO4 — CID 155412566

IUPAC(2R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoic acid
SMILESCCC(C)[C@@H](NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)O
InChIInChI=1S/C21H23NO4/c1-3-13(2)19(20(23)24)22-21(25)26-12-15-8-6-10-17-16-9-5-4-7-14(16)11-18(15)17/h4-10,13,19H,3,11-12H2,1-2H3,(H,22,25)(H,23,24)/t13?,19-/m1/s1
InChIKeyNDNZKIQATHJUKP-GAGCMDECSA-N
MW353.42 g/mol
LogP3.98
Rot. Bonds6

About (2R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoic acid

(2R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoic acid (PubChem CID 155412566) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is (2R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoic acid
PubChem CID155412566
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name(2R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoic acid
SMILESCCC(C)[C@@H](NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)O
InChIInChI=1S/C21H23NO4/c1-3-13(2)19(20(23)24)22-21(25)26-12-15-8-6-10-17-16-9-5-4-7-14(16)11-18(15)17/h4-10,13,19H,3,11-12H2,1-2H3,(H,22,25)(H,23,24)/t13?,19-/m1/s1
InChIKeyNDNZKIQATHJUKP-GAGCMDECSA-N
XLogP3.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-2-methylpropanoate
CID 175450580
3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid
CID 174897078
(2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid
CID 14767788
(2,3,4,5,6-pentafluorophenyl) (2S,3R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-hydroxybutanoate
CID 87881323
2,6-diaminohexanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid
CID 174881683
[(3S,5S)-5-cyano-1-[(2S,3S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoyl]pyrrolidin-3-yl] acetate
CID 69352885
2H-benzotriazol-4-ol;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid
CID 175252148
(2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 165175181
9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
CID 66742349
3-[2-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]-2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid
CID 70036649
(2R,3S)-3-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoic acid
CID 122408174
1-(propan-2-yloxymethyl)-9H-fluorene
CID 58283334

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoic acid?
The IUPAC name of (2R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoic acid (CID 155412566) is (2R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoic acid.
What is the SMILES notation for (2R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoic acid?
The canonical SMILES for (2R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoic acid is CCC(C)[C@@H](NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)O.
What is the InChIKey of (2R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoic acid?
The InChIKey is NDNZKIQATHJUKP-GAGCMDECSA-N. The full InChI is InChI=1S/C21H23NO4/c1-3-13(2)19(20(23)24)22-21(25)26-12-15-8-6-10-17-16-9-5-4-7-14(16)11-18(15)17/h4-10,13,19H,3,11-12H2,1-2H3,(H,22,25)(H,23,24)/t13?,19-/m1/s1.
What are the key properties of (2R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoic acid?
(2R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoic acid has a molecular weight of 353.42 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoic acid is sourced from PubChem (CID 155412566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).