(2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-5-(1H-indol-3-yl)pentanoic acid

C28H26N2O4 — CID 57355811

IUPAC(2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-5-(1H-indol-3-yl)pentanoic acid
SMILESNC(Cc1c[nH]c2ccccc12)C[C@H](C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H26N2O4/c29-18(13-17-15-30-26-12-6-5-7-19(17)26)14-24(27(31)32)28(33)34-16-25-22-10-3-1-8-20(22)21-9-2-4-11-23(21)25/h1-12,15,18,24-25,30H,13-14,16,29H2,(H,31,32)/t18?,24-/m1/s1
InChIKeyNDBHFZVPJGIXRD-VCUSLETLSA-N
MW454.53 g/mol
LogP4.48
Rot. Bonds8

About (2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-5-(1H-indol-3-yl)pentanoic acid

(2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-5-(1H-indol-3-yl)pentanoic acid (PubChem CID 57355811) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is (2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-5-(1H-indol-3-yl)pentanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-5-(1H-indol-3-yl)pentanoic acid
PubChem CID57355811
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC Name(2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-5-(1H-indol-3-yl)pentanoic acid
SMILESNC(Cc1c[nH]c2ccccc12)C[C@H](C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H26N2O4/c29-18(13-17-15-30-26-12-6-5-7-19(17)26)14-24(27(31)32)28(33)34-16-25-22-10-3-1-8-20(22)21-9-2-4-11-23(21)25/h1-12,15,18,24-25,30H,13-14,16,29H2,(H,31,32)/t18?,24-/m1/s1
InChIKeyNDBHFZVPJGIXRD-VCUSLETLSA-N
XLogP4.48
TPSA105.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-(1H-indol-3-yl)propanoic acid
CID 156757873
9H-fluoren-9-ylmethyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 71024265
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoate
CID 131873978
(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(1H-indol-3-yl)pentanoic acid
CID 2756075
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2,3,4,5,6-pentafluorophenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoate
CID 11006463
9H-fluoren-9-ylmethyl (4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-1,3-oxazolidine-3-carboxylate
CID 165340462
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306
CID 70188356
CID 70188356
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
CID 175305655
2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
CID 86010535

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-5-(1H-indol-3-yl)pentanoic acid?
The IUPAC name of (2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-5-(1H-indol-3-yl)pentanoic acid (CID 57355811) is (2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-5-(1H-indol-3-yl)pentanoic acid.
What is the SMILES notation for (2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-5-(1H-indol-3-yl)pentanoic acid?
The canonical SMILES for (2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-5-(1H-indol-3-yl)pentanoic acid is NC(Cc1c[nH]c2ccccc12)C[C@H](C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-5-(1H-indol-3-yl)pentanoic acid?
The InChIKey is NDBHFZVPJGIXRD-VCUSLETLSA-N. The full InChI is InChI=1S/C28H26N2O4/c29-18(13-17-15-30-26-12-6-5-7-19(17)26)14-24(27(31)32)28(33)34-16-25-22-10-3-1-8-20(22)21-9-2-4-11-23(21)25/h1-12,15,18,24-25,30H,13-14,16,29H2,(H,31,32)/t18?,24-/m1/s1.
What are the key properties of (2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-5-(1H-indol-3-yl)pentanoic acid?
(2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-5-(1H-indol-3-yl)pentanoic acid has a molecular weight of 454.53 g/mol, XLogP of 4.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-5-(1H-indol-3-yl)pentanoic acid is sourced from PubChem (CID 57355811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).