(2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid

C21H23NO4 — CID 14767788

IUPAC(2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)O
InChIInChI=1S/C21H23NO4/c1-13(2)10-19(20(23)24)22-21(25)26-12-15-7-5-9-17-16-8-4-3-6-14(16)11-18(15)17/h3-9,13,19H,10-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKeyYRBYGQQJLQFTDV-IBGZPJMESA-N
MW353.42 g/mol
LogP3.98
Rot. Bonds6

About (2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid

(2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid (PubChem CID 14767788) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is (2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid
PubChem CID14767788
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name(2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)O
InChIInChI=1S/C21H23NO4/c1-13(2)10-19(20(23)24)22-21(25)26-12-15-7-5-9-17-16-8-4-3-6-14(16)11-18(15)17/h3-9,13,19H,10-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKeyYRBYGQQJLQFTDV-IBGZPJMESA-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

3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid
CID 174897078
(2R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoic acid
CID 155412566
(2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 165175181
2,6-diaminohexanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid
CID 174881683
2H-benzotriazol-4-ol;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid
CID 175252148
3-[2-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]-2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid
CID 70036649
(2,3,4,5,6-pentafluorophenyl) (2S,3R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-hydroxybutanoate
CID 87881323
2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]propanoic acid
CID 23506292
2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)butanedioic acid
CID 175143885
(2S,3S)-2-amino-2-(9H-fluoren-1-ylmethoxycarbonyl)-3-methylpentanoic acid
CID 139831866
ethyl 2-[[2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-2-methylpropanoate
CID 175450580
(2S)-4-methyl-2-[[4-(2-phenylacetyl)phenyl]methoxycarbonylamino]pentanoic acid
CID 101146747

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid?
The IUPAC name of (2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid (CID 14767788) is (2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid is CC(C)C[C@H](NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)O.
What is the InChIKey of (2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid?
The InChIKey is YRBYGQQJLQFTDV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23NO4/c1-13(2)10-19(20(23)24)22-21(25)26-12-15-7-5-9-17-16-8-4-3-6-14(16)11-18(15)17/h3-9,13,19H,10-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1.
What are the key properties of (2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid?
(2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-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 (2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid is sourced from PubChem (CID 14767788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).