(2R)-2-[(2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-2-naphthalen-2-ylacetic acid

C21H26N2O4 — CID 129460636

IUPAC(2R)-2-[(2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-2-naphthalen-2-ylacetic acid
SMILESCC(C)(C)OC(=O)[C@@H]1CCN([C@@H](C(=O)O)c2ccc3ccccc3c2)[C@H]1N
InChIInChI=1S/C21H26N2O4/c1-21(2,3)27-20(26)16-10-11-23(18(16)22)17(19(24)25)15-9-8-13-6-4-5-7-14(13)12-15/h4-9,12,16-18H,10-11,22H2,1-3H3,(H,24,25)/t16-,17-,18-/m1/s1
InChIKeyPQIPMLIIRDECGR-KZNAEPCWSA-N
MW370.45 g/mol
LogP2.91
Rot. Bonds4

About (2R)-2-[(2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-2-naphthalen-2-ylacetic acid

(2R)-2-[(2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-2-naphthalen-2-ylacetic acid (PubChem CID 129460636) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2R)-2-[(2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-2-naphthalen-2-ylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-2-naphthalen-2-ylacetic acid
PubChem CID129460636
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name(2R)-2-[(2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-2-naphthalen-2-ylacetic acid
SMILESCC(C)(C)OC(=O)[C@@H]1CCN([C@@H](C(=O)O)c2ccc3ccccc3c2)[C@H]1N
InChIInChI=1S/C21H26N2O4/c1-21(2,3)27-20(26)16-10-11-23(18(16)22)17(19(24)25)15-9-8-13-6-4-5-7-14(13)12-15/h4-9,12,16-18H,10-11,22H2,1-3H3,(H,24,25)/t16-,17-,18-/m1/s1
InChIKeyPQIPMLIIRDECGR-KZNAEPCWSA-N
XLogP2.91
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(2S,4R)-2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-naphthalen-2-ylacetic acid
CID 124514898
(2R)-2-[(2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-(1H-indol-2-yl)acetic acid
CID 129460790
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-naphthalen-2-ylacetic acid
CID 2762256
methyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate
CID 116860560
2-amino-4-[(2-methylpropan-2-yl)oxy]-3-naphthalen-2-yl-4-oxobutanoic acid
CID 57376493
1-O-benzyl 3-O-tert-butyl 2-aminopyrrolidine-1,3-dicarboxylate
CID 53442652
2-(6-methoxynaphthalen-2-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
CID 70916227
(2R)-2-[(2R,4S)-2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-thiophen-2-ylacetic acid
CID 98099230
tert-butyl 4-[2-[methoxy(methyl)amino]-1-naphthalen-2-yl-2-oxoethyl]piperazine-1-carboxylate
CID 89098000
tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetate
CID 42628234
3-amino-3-methyl-2-naphthalen-2-ylbutanoic acid;hydrochloride
CID 70202945
tert-butyl N-(1-naphthalen-2-ylethyl)carbamate
CID 70974235

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-2-naphthalen-2-ylacetic acid?
The IUPAC name of (2R)-2-[(2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-2-naphthalen-2-ylacetic acid (CID 129460636) is (2R)-2-[(2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-2-naphthalen-2-ylacetic acid.
What is the SMILES notation for (2R)-2-[(2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-2-naphthalen-2-ylacetic acid?
The canonical SMILES for (2R)-2-[(2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-2-naphthalen-2-ylacetic acid is CC(C)(C)OC(=O)[C@@H]1CCN([C@@H](C(=O)O)c2ccc3ccccc3c2)[C@H]1N.
What is the InChIKey of (2R)-2-[(2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-2-naphthalen-2-ylacetic acid?
The InChIKey is PQIPMLIIRDECGR-KZNAEPCWSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-21(2,3)27-20(26)16-10-11-23(18(16)22)17(19(24)25)15-9-8-13-6-4-5-7-14(13)12-15/h4-9,12,16-18H,10-11,22H2,1-3H3,(H,24,25)/t16-,17-,18-/m1/s1.
What are the key properties of (2R)-2-[(2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-2-naphthalen-2-ylacetic acid?
(2R)-2-[(2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-2-naphthalen-2-ylacetic acid has a molecular weight of 370.45 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-2-naphthalen-2-ylacetic acid is sourced from PubChem (CID 129460636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).